2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid

C26H25N7O2 — CID 15224461

IUPAC2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCCCCc1nc2c(C)cnc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H25N7O2/c1-3-4-9-21-28-22-16(2)14-27-23(26(34)35)24(22)33(21)15-17-10-12-18(13-11-17)19-7-5-6-8-20(19)25-29-31-32-30-25/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,34,35)(H,29,30,31,32)
InChIKeyGCEPCIJDUCGARX-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.68
Rot. Bonds8

About 2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid

2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid (PubChem CID 15224461) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid
PubChem CID15224461
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid
SMILESCCCCc1nc2c(C)cnc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H25N7O2/c1-3-4-9-21-28-22-16(2)14-27-23(26(34)35)24(22)33(21)15-17-10-12-18(13-11-17)19-7-5-6-8-20(19)25-29-31-32-30-25/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,34,35)(H,29,30,31,32)
InChIKeyGCEPCIJDUCGARX-UHFFFAOYSA-N
XLogP4.68
TPSA122.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid?
The IUPAC name of 2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid (CID 15224461) is 2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid?
The canonical SMILES for 2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid is CCCCc1nc2c(C)cnc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid?
The InChIKey is GCEPCIJDUCGARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-3-4-9-21-28-22-16(2)14-27-23(26(34)35)24(22)33(21)15-17-10-12-18(13-11-17)19-7-5-6-8-20(19)25-29-31-32-30-25/h5-8,10-14H,3-4,9,15H2,1-2H3,(H,34,35)(H,29,30,31,32).
What are the key properties of 2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid?
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid has a molecular weight of 467.53 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 15224461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).