2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetic acid

C26H25N7O3 — CID 10005512

IUPAC2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetic acid
SMILESCCCCc1nc2ccn(CC(=O)O)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H25N7O3/c1-2-3-8-22-27-21-13-14-32(16-23(34)35)26(36)24(21)33(22)15-17-9-11-18(12-10-17)19-6-4-5-7-20(19)25-28-30-31-29-25/h4-7,9-14H,2-3,8,15-16H2,1H3,(H,34,35)(H,28,29,30,31)
InChIKeyMEIWZVPKRQJOOT-UHFFFAOYSA-N
MW483.53 g/mol
LogP3.52
Rot. Bonds9

About 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetic acid

2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetic acid (PubChem CID 10005512) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetic acid
PubChem CID10005512
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC Name2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetic acid
SMILESCCCCc1nc2ccn(CC(=O)O)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H25N7O3/c1-2-3-8-22-27-21-13-14-32(16-23(34)35)26(36)24(21)33(22)15-17-9-11-18(12-10-17)19-6-4-5-7-20(19)25-28-30-31-29-25/h4-7,9-14H,2-3,8,15-16H2,1H3,(H,34,35)(H,28,29,30,31)
InChIKeyMEIWZVPKRQJOOT-UHFFFAOYSA-N
XLogP3.52
TPSA131.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetic acid?
The IUPAC name of 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetic acid (CID 10005512) is 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetic acid.
What is the SMILES notation for 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetic acid?
The canonical SMILES for 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetic acid is CCCCc1nc2ccn(CC(=O)O)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetic acid?
The InChIKey is MEIWZVPKRQJOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-2-3-8-22-27-21-13-14-32(16-23(34)35)26(36)24(21)33(22)15-17-9-11-18(12-10-17)19-6-4-5-7-20(19)25-28-30-31-29-25/h4-7,9-14H,2-3,8,15-16H2,1H3,(H,34,35)(H,28,29,30,31).
What are the key properties of 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetic acid?
2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetic acid has a molecular weight of 483.53 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]acetic acid is sourced from PubChem (CID 10005512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).