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MLS000855982,ZINC00928607,ASN 04372649,SMR000286427,7-Methyl-imidazo[1

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摘 要:MLS000855982,ZINC00928607,ASN 04372649,SMR000286427,7-Methyl-imidazo[1,2-a]pyridine-2-carboxylic acid (furan-2-ylmethyl)-amide, N-(furan-2-ylmethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide,Canonical SMILES: CC1=CC2=NC(=CN2C=C1)C(=O)NCC3=CC=CO3,I
[Synonyms]
MLS000855982
ZINC00928607
ASN 04372649
SMR000286427
7-Methyl-imidazo[1,2-a]pyridine-2-carboxylic acid (furan-2-ylmethyl)-amide

[Structure]
MLS000855982,ZINC00928607,ASN 04372649,SMR000286427,7-Methyl-imidazo[1

[ Properties Computed from Structure]
Molecular Weight255.27192 [g/mol]
Molecular FormulaC14H13N3O2
XLogP-0.8
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count3
Tautomer Count2
Exact Mass255.100777
MonoIsotopic Mass255.100777
Topological Polar Surface Area59.5
Heavy Atom Count19
Formal Charge0
Complexity337
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-(furan-2-ylmethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
Canonical SMILES: CC1=CC2=NC(=CN2C=C1)C(=O)NCC3=CC=CO3
InChI: InChI=1/C14H13N3O2/c1-10-4-5-17-9-12(16-13(17)7-10)14(18)15-8-11-3-2-6-
19-11/h2-7,9H,8H2,1H3,(H,15,18)/f/h15H

 
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