6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one

C21H23N5O — CID 137101126

IUPAC6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
SMILESCc1cc(-c2n[nH]c3cc4c(cc23)CN(C2CCCC2)C(=O)N4)cc(C)n1
InChIInChI=1S/C21H23N5O/c1-12-7-14(8-13(2)22-12)20-17-9-15-11-26(16-5-3-4-6-16)21(27)23-18(15)10-19(17)24-25-20/h7-10,16H,3-6,11H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyHEGAIXOWOBFRFG-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.53
Rot. Bonds2

About 6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one

6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one (PubChem CID 137101126) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one.

Molecular Properties

Compound Name6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
PubChem CID137101126
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
SMILESCc1cc(-c2n[nH]c3cc4c(cc23)CN(C2CCCC2)C(=O)N4)cc(C)n1
InChIInChI=1S/C21H23N5O/c1-12-7-14(8-13(2)22-12)20-17-9-15-11-26(16-5-3-4-6-16)21(27)23-18(15)10-19(17)24-25-20/h7-10,16H,3-6,11H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyHEGAIXOWOBFRFG-UHFFFAOYSA-N
XLogP4.53
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-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 6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The IUPAC name of 6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one (CID 137101126) is 6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one.
What is the SMILES notation for 6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The canonical SMILES for 6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one is Cc1cc(-c2n[nH]c3cc4c(cc23)CN(C2CCCC2)C(=O)N4)cc(C)n1.
What is the InChIKey of 6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The InChIKey is HEGAIXOWOBFRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-12-7-14(8-13(2)22-12)20-17-9-15-11-26(16-5-3-4-6-16)21(27)23-18(15)10-19(17)24-25-20/h7-10,16H,3-6,11H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one has a molecular weight of 361.45 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one is sourced from PubChem (CID 137101126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).