3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one

C27H25N5O — CID 17440646

IUPAC3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cn(-c3ccccc3)nc2-c2cccnc2)N1C1CCCC1
InChIInChI=1S/C27H25N5O/c33-27-22-14-6-7-15-24(22)29-26(32(27)21-12-4-5-13-21)23-18-31(20-10-2-1-3-11-20)30-25(23)19-9-8-16-28-17-19/h1-3,6-11,14-18,21,26,29H,4-5,12-13H2
InChIKeyHVXMEBHMXXRYJP-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.44
Rot. Bonds4

About 3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one

3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 17440646) has the molecular formula C27H25N5O and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
PubChem CID17440646
Molecular FormulaC27H25N5O
Molecular Weight435.53 g/mol
Exact Mass435.21
IUPAC Name3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cn(-c3ccccc3)nc2-c2cccnc2)N1C1CCCC1
InChIInChI=1S/C27H25N5O/c33-27-22-14-6-7-15-24(22)29-26(32(27)21-12-4-5-13-21)23-18-31(20-10-2-1-3-11-20)30-25(23)19-9-8-16-28-17-19/h1-3,6-11,14-18,21,26,29H,4-5,12-13H2
InChIKeyHVXMEBHMXXRYJP-UHFFFAOYSA-N
XLogP5.44
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one 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

(2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 51454335
8-methyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 55598846
3-phenyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 17455951
N-cyclopentyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9208931
3-(1,3-diphenylpyrazol-4-yl)pyridine
CID 166447662
N-cycloheptyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 9268455
N-[(3S)-2-oxoazepan-3-yl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 94133021
N-(2-oxoazepan-3-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 71892750
3-(4-chloro-1-phenylpyrazol-3-yl)pyridine
CID 141352949
(2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 51429597
3-cyclohexyl-2-(2,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
CID 2927326
3-methyl-2-(5-pyridin-3-yl-1H-pyrazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 42896246

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one (CID 17440646) is 3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2cn(-c3ccccc3)nc2-c2cccnc2)N1C1CCCC1.
What is the InChIKey of 3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is HVXMEBHMXXRYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O/c33-27-22-14-6-7-15-24(22)29-26(32(27)21-12-4-5-13-21)23-18-31(20-10-2-1-3-11-20)30-25(23)19-9-8-16-28-17-19/h1-3,6-11,14-18,21,26,29H,4-5,12-13H2.
What are the key properties of 3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one?
3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 435.53 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 17440646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).