1-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinolin-2-yl]phenyl]methyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C35H31N9O — CID 10175324

IUPAC1-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinolin-2-yl]phenyl]methyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCn1nnc(-c2ccc3nc(-c4ccc(CN5CCC(n6c(=O)[nH]c7ncccc76)CC5)cc4)c(-c4ccccc4)cc3c2)n1
InChIInChI=1S/C35H31N9O/c1-42-40-33(39-41-42)26-13-14-30-27(20-26)21-29(24-6-3-2-4-7-24)32(37-30)25-11-9-23(10-12-25)22-43-18-15-28(16-19-43)44-31-8-5-17-36-34(31)38-35(44)45/h2-14,17,20-21,28H,15-16,18-19,22H2,1H3,(H,36,38,45)
InChIKeyZCOFDKYFWODQGE-UHFFFAOYSA-N
MW593.70 g/mol
LogP5.63
Rot. Bonds6

About 1-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinolin-2-yl]phenyl]methyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinolin-2-yl]phenyl]methyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 10175324) has the molecular formula C35H31N9O and a molecular weight of 593.70 g/mol. Its IUPAC name is 1-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinolin-2-yl]phenyl]methyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinolin-2-yl]phenyl]methyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID10175324
Molecular FormulaC35H31N9O
Molecular Weight593.70 g/mol
Exact Mass593.27
IUPAC Name1-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinolin-2-yl]phenyl]methyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCn1nnc(-c2ccc3nc(-c4ccc(CN5CCC(n6c(=O)[nH]c7ncccc76)CC5)cc4)c(-c4ccccc4)cc3c2)n1
InChIInChI=1S/C35H31N9O/c1-42-40-33(39-41-42)26-13-14-30-27(20-26)21-29(24-6-3-2-4-7-24)32(37-30)25-11-9-23(10-12-25)22-43-18-15-28(16-19-43)44-31-8-5-17-36-34(31)38-35(44)45/h2-14,17,20-21,28H,15-16,18-19,22H2,1H3,(H,36,38,45)
InChIKeyZCOFDKYFWODQGE-UHFFFAOYSA-N
XLogP5.63
TPSA110.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.70
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinolin-2-yl]phenyl]methyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one 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 1-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinolin-2-yl]phenyl]methyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinolin-2-yl]phenyl]methyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 10175324) is 1-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinolin-2-yl]phenyl]methyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinolin-2-yl]phenyl]methyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinolin-2-yl]phenyl]methyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is Cn1nnc(-c2ccc3nc(-c4ccc(CN5CCC(n6c(=O)[nH]c7ncccc76)CC5)cc4)c(-c4ccccc4)cc3c2)n1.
What is the InChIKey of 1-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinolin-2-yl]phenyl]methyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is ZCOFDKYFWODQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H31N9O/c1-42-40-33(39-41-42)26-13-14-30-27(20-26)21-29(24-6-3-2-4-7-24)32(37-30)25-11-9-23(10-12-25)22-43-18-15-28(16-19-43)44-31-8-5-17-36-34(31)38-35(44)45/h2-14,17,20-21,28H,15-16,18-19,22H2,1H3,(H,36,38,45).
What are the key properties of 1-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinolin-2-yl]phenyl]methyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinolin-2-yl]phenyl]methyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 593.70 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-[6-(2-methyltetrazol-5-yl)-3-phenylquinolin-2-yl]phenyl]methyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 10175324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).