2-amino-4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid

C29H29N5O2 — CID 11340575

IUPAC2-amino-4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid
SMILESCCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C(=O)O)c(N)nc3ccccc23)cc1
InChIInChI=1S/C29H29N5O2/c1-4-5-10-23-33-26-17(2)15-18(3)31-28(26)34(23)16-19-11-13-20(14-12-19)24-21-8-6-7-9-22(21)32-27(30)25(24)29(35)36/h6-9,11-15H,4-5,10,16H2,1-3H3,(H2,30,32)(H,35,36)
InChIKeyPZVBQYULRFJDGY-UHFFFAOYSA-N
MW479.58 g/mol
LogP5.93
Rot. Bonds7

About 2-amino-4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid

2-amino-4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid (PubChem CID 11340575) has the molecular formula C29H29N5O2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2-amino-4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid
PubChem CID11340575
Molecular FormulaC29H29N5O2
Molecular Weight479.58 g/mol
Exact Mass479.23
IUPAC Name2-amino-4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid
SMILESCCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C(=O)O)c(N)nc3ccccc23)cc1
InChIInChI=1S/C29H29N5O2/c1-4-5-10-23-33-26-17(2)15-18(3)31-28(26)34(23)16-19-11-13-20(14-12-19)24-21-8-6-7-9-22(21)32-27(30)25(24)29(35)36/h6-9,11-15H,4-5,10,16H2,1-3H3,(H2,30,32)(H,35,36)
InChIKeyPZVBQYULRFJDGY-UHFFFAOYSA-N
XLogP5.93
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid?
The IUPAC name of 2-amino-4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid (CID 11340575) is 2-amino-4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid?
The canonical SMILES for 2-amino-4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid is CCCCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2c(C(=O)O)c(N)nc3ccccc23)cc1.
What is the InChIKey of 2-amino-4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid?
The InChIKey is PZVBQYULRFJDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2/c1-4-5-10-23-33-26-17(2)15-18(3)31-28(26)34(23)16-19-11-13-20(14-12-19)24-21-8-6-7-9-22(21)32-27(30)25(24)29(35)36/h6-9,11-15H,4-5,10,16H2,1-3H3,(H2,30,32)(H,35,36).
What are the key properties of 2-amino-4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid?
2-amino-4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid has a molecular weight of 479.58 g/mol, XLogP of 5.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[(2-butyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]quinoline-3-carboxylic acid is sourced from PubChem (CID 11340575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).