[2-(7-methyl-3-phenyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate

C35H34N6O3 — CID 70681362

IUPAC[2-(7-methyl-3-phenyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
SMILESCc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(-c3ccccc3)[nH]nc12
InChIInChI=1S/C35H34N6O3/c1-23-19-24(20-28-32(23)38-39-33(28)25-9-3-2-4-10-25)21-31(30-13-7-8-16-36-30)44-35(43)40-17-14-27(15-18-40)41-22-26-11-5-6-12-29(26)37-34(41)42/h2-13,16,19-20,27,31H,14-15,17-18,21-22H2,1H3,(H,37,42)(H,38,39)
InChIKeyPBJHHZOVIVOICW-UHFFFAOYSA-N
MW586.70 g/mol
LogP6.87
Rot. Bonds6

About [2-(7-methyl-3-phenyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate

[2-(7-methyl-3-phenyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate (PubChem CID 70681362) has the molecular formula C35H34N6O3 and a molecular weight of 586.70 g/mol. Its IUPAC name is [2-(7-methyl-3-phenyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Name[2-(7-methyl-3-phenyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
PubChem CID70681362
Molecular FormulaC35H34N6O3
Molecular Weight586.70 g/mol
Exact Mass586.27
IUPAC Name[2-(7-methyl-3-phenyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
SMILESCc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(-c3ccccc3)[nH]nc12
InChIInChI=1S/C35H34N6O3/c1-23-19-24(20-28-32(23)38-39-33(28)25-9-3-2-4-10-25)21-31(30-13-7-8-16-36-30)44-35(43)40-17-14-27(15-18-40)41-22-26-11-5-6-12-29(26)37-34(41)42/h2-13,16,19-20,27,31H,14-15,17-18,21-22H2,1H3,(H,37,42)(H,38,39)
InChIKeyPBJHHZOVIVOICW-UHFFFAOYSA-N
XLogP6.87
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.70
LogP ≤ 56.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(7-methyl-3-phenyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-isoquinolin-3-yl-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
CID 11295951
[2-(7-methyl-1H-indazol-5-yl)-1-[4-(piperidine-1-carbonyl)-2-pyridinyl]ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
CID 11308069
[1-(4-formyl-2-pyridinyl)-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
CID 11364682
[1-(6-bromo-2-pyridinyl)-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
CID 11786642
[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl] 4-isoquinolin-3-ylpiperidine-1-carboxylate
CID 44583379
[2-(7-methyl-1H-indazol-5-yl)-1-[4-(piperidin-1-ylmethyl)-2-pyridinyl]ethyl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
CID 70681361
[2-(3-bromo-7-methyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
CID 70685565
[2-(3-chloro-7-methyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
CID 70685566
[2-(7-methyl-1H-indazol-5-yl)-1-(4-pyridin-4-yl-2-pyridinyl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
CID 70689756
[1-[4-(dimethylcarbamoyl)-2-pyridinyl]-2-(7-methyl-1H-indazol-5-yl)ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
CID 70691910
[2-(7-methyl-1H-indazol-5-yl)-1-[4-(piperidin-1-ylmethyl)-2-pyridinyl]ethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate
CID 70696075
[2-(7-methyl-1H-indazol-5-yl)-1-[4-(pyrrolidin-1-ylmethyl)-2-pyridinyl]ethyl] 4-(2-oxo-1H-quinolin-3-yl)piperidine-1-carboxylate
CID 70696077

Frequently Asked Questions

What is the IUPAC name of [2-(7-methyl-3-phenyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate?
The IUPAC name of [2-(7-methyl-3-phenyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate (CID 70681362) is [2-(7-methyl-3-phenyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for [2-(7-methyl-3-phenyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for [2-(7-methyl-3-phenyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate is Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2ccccn2)cc2c(-c3ccccc3)[nH]nc12.
What is the InChIKey of [2-(7-methyl-3-phenyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate?
The InChIKey is PBJHHZOVIVOICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N6O3/c1-23-19-24(20-28-32(23)38-39-33(28)25-9-3-2-4-10-25)21-31(30-13-7-8-16-36-30)44-35(43)40-17-14-27(15-18-40)41-22-26-11-5-6-12-29(26)37-34(41)42/h2-13,16,19-20,27,31H,14-15,17-18,21-22H2,1H3,(H,37,42)(H,38,39).
What are the key properties of [2-(7-methyl-3-phenyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate?
[2-(7-methyl-3-phenyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate has a molecular weight of 586.70 g/mol, XLogP of 6.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-methyl-3-phenyl-2H-indazol-5-yl)-1-pyridin-2-ylethyl] 4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 70681362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).