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

C25H30N6O — CID 137101254

IUPAC6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
SMILESCc1cc(-c2n[nH]c3cc4c(cc23)CN([C@@H]2CCCN(C3CCCC3)C2)C(=O)N4)ccn1
InChIInChI=1S/C25H30N6O/c1-16-11-17(8-9-26-16)24-21-12-18-14-31(25(32)27-22(18)13-23(21)28-29-24)20-7-4-10-30(15-20)19-5-2-3-6-19/h8-9,11-13,19-20H,2-7,10,14-15H2,1H3,(H,27,32)(H,28,29)/t20-/m1/s1
InChIKeyBXDXIFSDZFVJPR-HXUWFJFHSA-N
MW430.56 g/mol
LogP4.69
Rot. Bonds3

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

6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one (PubChem CID 137101254) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one.

Molecular Properties

Compound Name6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
PubChem CID137101254
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
SMILESCc1cc(-c2n[nH]c3cc4c(cc23)CN([C@@H]2CCCN(C3CCCC3)C2)C(=O)N4)ccn1
InChIInChI=1S/C25H30N6O/c1-16-11-17(8-9-26-16)24-21-12-18-14-31(25(32)27-22(18)13-23(21)28-29-24)20-7-4-10-30(15-20)19-5-2-3-6-19/h8-9,11-13,19-20H,2-7,10,14-15H2,1H3,(H,27,32)(H,28,29)/t20-/m1/s1
InChIKeyBXDXIFSDZFVJPR-HXUWFJFHSA-N
XLogP4.69
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
CID 137101319
3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
CID 137101360
6-[1-(2,2-difluoroethyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
CID 144825271
6-[(3S)-1-cyclopropylpyrrolidin-3-yl]-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
CID 137300921
3-(2-methyl-4-pyridinyl)-6-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
CID 137101344
6-(4,4-difluorocyclohexyl)-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
CID 137101259
3-(2-methyl-4-pyridinyl)-6-[(3R)-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
CID 137101136
6-cyclopentyl-3-(2,6-dimethyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
CID 137101126
6-[(3S,4R)-4-methyl-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
CID 139520349
6-[3-(benzylamino)cyclohexyl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
CID 138374524
3-(2-methyl-4-pyridinyl)-6-[1-(2-phenylethyl)azetidin-3-yl]-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
CID 137101373
6-[(3S,4R)-1-methyl-4-propan-2-ylpyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one
CID 136952464

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The IUPAC name of 6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one (CID 137101254) is 6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one.
What is the SMILES notation for 6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The canonical SMILES for 6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one is Cc1cc(-c2n[nH]c3cc4c(cc23)CN([C@@H]2CCCN(C3CCCC3)C2)C(=O)N4)ccn1.
What is the InChIKey of 6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
The InChIKey is BXDXIFSDZFVJPR-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N6O/c1-16-11-17(8-9-26-16)24-21-12-18-14-31(25(32)27-22(18)13-23(21)28-29-24)20-7-4-10-30(15-20)19-5-2-3-6-19/h8-9,11-13,19-20H,2-7,10,14-15H2,1H3,(H,27,32)(H,28,29)/t20-/m1/s1.
What are the key properties of 6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one?
6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one has a molecular weight of 430.56 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-cyclopentylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-5,8-dihydro-1H-pyrazolo[4,5-g]quinazolin-7-one is sourced from PubChem (CID 137101254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).