2-butyl-5-phenacyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one

C32H29N7O2 — CID 10437372

IUPAC2-butyl-5-phenacyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one
SMILESCCCCc1nc2ccn(CC(=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C32H29N7O2/c1-2-3-13-29-33-27-18-19-38(21-28(40)24-9-5-4-6-10-24)32(41)30(27)39(29)20-22-14-16-23(17-15-22)25-11-7-8-12-26(25)31-34-36-37-35-31/h4-12,14-19H,2-3,13,20-21H2,1H3,(H,34,35,36,37)
InChIKeyGFVMPKFUIYROKE-UHFFFAOYSA-N
MW543.63 g/mol
LogP5.32
Rot. Bonds10

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

2-butyl-5-phenacyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one (PubChem CID 10437372) has the molecular formula C32H29N7O2 and a molecular weight of 543.63 g/mol. Its IUPAC name is 2-butyl-5-phenacyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name2-butyl-5-phenacyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one
PubChem CID10437372
Molecular FormulaC32H29N7O2
Molecular Weight543.63 g/mol
Exact Mass543.24
IUPAC Name2-butyl-5-phenacyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one
SMILESCCCCc1nc2ccn(CC(=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C32H29N7O2/c1-2-3-13-29-33-27-18-19-38(21-28(40)24-9-5-4-6-10-24)32(41)30(27)39(29)20-22-14-16-23(17-15-22)25-11-7-8-12-26(25)31-34-36-37-35-31/h4-12,14-19H,2-3,13,20-21H2,1H3,(H,34,35,36,37)
InChIKeyGFVMPKFUIYROKE-UHFFFAOYSA-N
XLogP5.32
TPSA111.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.63
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-phenacyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 2-butyl-5-phenacyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one (CID 10437372) is 2-butyl-5-phenacyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 2-butyl-5-phenacyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 2-butyl-5-phenacyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one is CCCCc1nc2ccn(CC(=O)c3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-butyl-5-phenacyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one?
The InChIKey is GFVMPKFUIYROKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N7O2/c1-2-3-13-29-33-27-18-19-38(21-28(40)24-9-5-4-6-10-24)32(41)30(27)39(29)20-22-14-16-23(17-15-22)25-11-7-8-12-26(25)31-34-36-37-35-31/h4-12,14-19H,2-3,13,20-21H2,1H3,(H,34,35,36,37).
What are the key properties of 2-butyl-5-phenacyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one?
2-butyl-5-phenacyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one has a molecular weight of 543.63 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-phenacyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 10437372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).