2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid

C26H24N4O3 — CID 11743965

IUPAC2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid
SMILESCCCCc1nc2ccn(CC(=O)O)c(=O)c2n1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C26H24N4O3/c1-2-3-8-23-28-22-13-14-29(17-24(31)32)26(33)25(22)30(23)16-18-9-11-19(12-10-18)21-7-5-4-6-20(21)15-27/h4-7,9-14H,2-3,8,16-17H2,1H3,(H,31,32)
InChIKeyQBLUJYWNQXWBCS-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.21
Rot. Bonds8

About 2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid

2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid (PubChem CID 11743965) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid
PubChem CID11743965
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid
SMILESCCCCc1nc2ccn(CC(=O)O)c(=O)c2n1Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C26H24N4O3/c1-2-3-8-23-28-22-13-14-29(17-24(31)32)26(33)25(22)30(23)16-18-9-11-19(12-10-18)21-7-5-4-6-20(21)15-27/h4-7,9-14H,2-3,8,16-17H2,1H3,(H,31,32)
InChIKeyQBLUJYWNQXWBCS-UHFFFAOYSA-N
XLogP4.21
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid with MolForge

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Related Compounds

2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 10413651
2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-diphenylacetamide
CID 10099966
2-[4-[[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]benzonitrile
CID 10348085
2-[4-[[2-butyl-5-(cyanomethyl)-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]phenyl]benzonitrile
CID 19349852
2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 10385241
2-[4-[[2-butyl-7-(hydroxymethyl)benzimidazol-1-yl]methyl]phenyl]benzonitrile
CID 19792172
3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one
CID 19349858
2-[[2-butyl-3-[[2-(2-cyanophenyl)-1-benzofuran-5-yl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 154493106
2-butyl-5-(2-oxo-2-piperidin-1-ylethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one
CID 10099064
2-[[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 10460419
2-[4-[(5-bromo-2-butyl-4-ethyl-6-oxopyrimidin-1-yl)methyl]phenyl]benzonitrile
CID 57460095
2-[4-[(2-butyl-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl)methyl]phenyl]benzonitrile
CID 67940303

Frequently Asked Questions

What is the IUPAC name of 2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid?
The IUPAC name of 2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid (CID 11743965) is 2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid?
The canonical SMILES for 2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid is CCCCc1nc2ccn(CC(=O)O)c(=O)c2n1Cc1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of 2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid?
The InChIKey is QBLUJYWNQXWBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-2-3-8-23-28-22-13-14-29(17-24(31)32)26(33)25(22)30(23)16-18-9-11-19(12-10-18)21-7-5-4-6-20(21)15-27/h4-7,9-14H,2-3,8,16-17H2,1H3,(H,31,32).
What are the key properties of 2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid?
2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid has a molecular weight of 440.50 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid is sourced from PubChem (CID 11743965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).