3-(2-methyl-4-pyridinyl)-6-(4-phenyl-1-propan-2-ylpyrrolidin-3-yl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one

C28H30N6O — CID 137062243

IUPAC3-(2-methyl-4-pyridinyl)-6-(4-phenyl-1-propan-2-ylpyrrolidin-3-yl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
SMILESCc1cc(-c2n[nH]c3cc4c(cc23)CN(C2CN(C(C)C)CC2c2ccccc2)C(=O)N4)ccn1
InChIInChI=1S/C28H30N6O/c1-17(2)33-15-23(19-7-5-4-6-8-19)26(16-33)34-14-21-12-22-25(13-24(21)30-28(34)35)31-32-27(22)20-9-10-29-18(3)11-20/h4-13,17,23,26H,14-16H2,1-3H3,(H,30,35)(H,31,32)
InChIKeyYVNQIPVQHOFKOR-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.16
Rot. Bonds4

About 3-(2-methyl-4-pyridinyl)-6-(4-phenyl-1-propan-2-ylpyrrolidin-3-yl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one

3-(2-methyl-4-pyridinyl)-6-(4-phenyl-1-propan-2-ylpyrrolidin-3-yl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one (PubChem CID 137062243) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is 3-(2-methyl-4-pyridinyl)-6-(4-phenyl-1-propan-2-ylpyrrolidin-3-yl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one.

Molecular Properties

Compound Name3-(2-methyl-4-pyridinyl)-6-(4-phenyl-1-propan-2-ylpyrrolidin-3-yl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
PubChem CID137062243
Molecular FormulaC28H30N6O
Molecular Weight466.59 g/mol
Exact Mass466.25
IUPAC Name3-(2-methyl-4-pyridinyl)-6-(4-phenyl-1-propan-2-ylpyrrolidin-3-yl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
SMILESCc1cc(-c2n[nH]c3cc4c(cc23)CN(C2CN(C(C)C)CC2c2ccccc2)C(=O)N4)ccn1
InChIInChI=1S/C28H30N6O/c1-17(2)33-15-23(19-7-5-4-6-8-19)26(16-33)34-14-21-12-22-25(13-24(21)30-28(34)35)31-32-27(22)20-9-10-29-18(3)11-20/h4-13,17,23,26H,14-16H2,1-3H3,(H,30,35)(H,31,32)
InChIKeyYVNQIPVQHOFKOR-UHFFFAOYSA-N
XLogP5.16
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(2-methyl-4-pyridinyl)-6-(4-phenyl-1-propan-2-ylpyrrolidin-3-yl)-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 3-(2-methyl-4-pyridinyl)-6-(4-phenyl-1-propan-2-ylpyrrolidin-3-yl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The IUPAC name of 3-(2-methyl-4-pyridinyl)-6-(4-phenyl-1-propan-2-ylpyrrolidin-3-yl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one (CID 137062243) is 3-(2-methyl-4-pyridinyl)-6-(4-phenyl-1-propan-2-ylpyrrolidin-3-yl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one.
What is the SMILES notation for 3-(2-methyl-4-pyridinyl)-6-(4-phenyl-1-propan-2-ylpyrrolidin-3-yl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The canonical SMILES for 3-(2-methyl-4-pyridinyl)-6-(4-phenyl-1-propan-2-ylpyrrolidin-3-yl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one is Cc1cc(-c2n[nH]c3cc4c(cc23)CN(C2CN(C(C)C)CC2c2ccccc2)C(=O)N4)ccn1.
What is the InChIKey of 3-(2-methyl-4-pyridinyl)-6-(4-phenyl-1-propan-2-ylpyrrolidin-3-yl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The InChIKey is YVNQIPVQHOFKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O/c1-17(2)33-15-23(19-7-5-4-6-8-19)26(16-33)34-14-21-12-22-25(13-24(21)30-28(34)35)31-32-27(22)20-9-10-29-18(3)11-20/h4-13,17,23,26H,14-16H2,1-3H3,(H,30,35)(H,31,32).
What are the key properties of 3-(2-methyl-4-pyridinyl)-6-(4-phenyl-1-propan-2-ylpyrrolidin-3-yl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
3-(2-methyl-4-pyridinyl)-6-(4-phenyl-1-propan-2-ylpyrrolidin-3-yl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one has a molecular weight of 466.59 g/mol, XLogP of 5.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-pyridinyl)-6-(4-phenyl-1-propan-2-ylpyrrolidin-3-yl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one is sourced from PubChem (CID 137062243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).