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ASN 03437832 N-cyclopentyl-2-(2,3-dimethoxyphenyl)-8-methylimidazo[3,,

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摘 要:ASN 03437832 N-cyclopentyl-2-(2,3-dimethoxyphenyl)-8-methylimidazo[3,,2-a]pyridin-3-amine,Canonical SMILES: CC1=CC=CN2C1=NC(=C2NC3CCCC3)C4=C(C(=CC=C4)OC)OC,InChI: InChI=1/C21H25N3O2/c1-14-8-7-13-24-20(14)23-18(21(24)22-15-9-4-5-10-15),16-11-6-12-17(2
[Synonyms]
ASN 03437832
[Structure]
ASN 03437832 N-cyclopentyl-2-(2,3-dimethoxyphenyl)-8-methylimidazo[3,,

[ Properties Computed from Structure]
Molecular Weight351.4421 [g/mol]
Molecular FormulaC21H25N3O2
XLogP2
H-Bond Donor1
H-Bond Acceptor5
Rotatable Bond Count5
Exact Mass351.194677
MonoIsotopic Mass351.194677
Topological Polar Surface Area47.8
Heavy Atom Count26
Formal Charge0
Complexity457
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-cyclopentyl-2-(2,3-dimethoxyphenyl)-8-methylimidazo[3,
2-a]pyridin-3-amine
Canonical SMILES: CC1=CC=CN2C1=NC(=C2NC3CCCC3)C4=C(C(=CC=C4)OC)OC
InChI: InChI=1/C21H25N3O2/c1-14-8-7-13-24-20(14)23-18(21(24)22-15-9-4-5-10-15)
16-11-6-12-17(25-2)19(16)26-3/h6-8,11-13,15,22H,4-5,9-10H2,1-3H3

 
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