6-[1-(4-fluorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one

C24H28FN5O — CID 138374334

IUPAC6-[1-(4-fluorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
SMILESCc1cc(C2NNC3CC4NC(=O)N(C5(c6ccc(F)cc6)CC5)CC4CC32)ccn1
InChIInChI=1S/C24H28FN5O/c1-14-10-15(6-9-26-14)22-19-11-16-13-30(23(31)27-20(16)12-21(19)28-29-22)24(7-8-24)17-2-4-18(25)5-3-17/h2-6,9-10,16,19-22,28-29H,7-8,11-13H2,1H3,(H,27,31)
InChIKeyVFECWBVMMWTYOF-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.16
Rot. Bonds3

About 6-[1-(4-fluorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one

6-[1-(4-fluorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one (PubChem CID 138374334) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is 6-[1-(4-fluorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one.

Molecular Properties

Compound Name6-[1-(4-fluorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
PubChem CID138374334
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC Name6-[1-(4-fluorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
SMILESCc1cc(C2NNC3CC4NC(=O)N(C5(c6ccc(F)cc6)CC5)CC4CC32)ccn1
InChIInChI=1S/C24H28FN5O/c1-14-10-15(6-9-26-14)22-19-11-16-13-30(23(31)27-20(16)12-21(19)28-29-22)24(7-8-24)17-2-4-18(25)5-3-17/h2-6,9-10,16,19-22,28-29H,7-8,11-13H2,1H3,(H,27,31)
InChIKeyVFECWBVMMWTYOF-UHFFFAOYSA-N
XLogP3.16
TPSA69.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[1-(4-fluorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one with MolForge

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Related Compounds

6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374431
6-[(3R)-1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374442
6-[1-(4-fluorophenyl)propan-2-yl]-3-(2-methyl-4-pyridinyl)-1,2,3,3a,4,4a,5,6,8,8a,9,9a-dodecahydropyrazolo[4,3-g]quinolin-7-one
CID 138374372
2-[4-[[3-(2-methyl-4-pyridinyl)-7-oxo-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-6-yl]methyl]phenyl]acetonitrile
CID 138374365
4-[[3-(2-methyl-4-pyridinyl)-7-oxo-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-6-yl]methyl]benzonitrile
CID 138374353
6-[(3R)-1-(3-chlorophenyl)pyrrolidin-3-yl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374488
6-[(4-fluorophenyl)methyl]-3-(2-methoxypyrimidin-5-yl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374371
6-[(2,4-difluorophenyl)methyl]-3-(2-methoxypyrimidin-5-yl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374394
6-[(2,4-difluorophenyl)methyl]-3-pyridazin-4-yl-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374404
6-benzyl-3-(2,6-dimethyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374478
6-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methoxy-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374496
6-[2-(3-chlorophenyl)ethyl]-3-(2-methoxypyrimidin-5-yl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one
CID 138374382

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-fluorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one?
The IUPAC name of 6-[1-(4-fluorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one (CID 138374334) is 6-[1-(4-fluorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one.
What is the SMILES notation for 6-[1-(4-fluorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one?
The canonical SMILES for 6-[1-(4-fluorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one is Cc1cc(C2NNC3CC4NC(=O)N(C5(c6ccc(F)cc6)CC5)CC4CC32)ccn1.
What is the InChIKey of 6-[1-(4-fluorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one?
The InChIKey is VFECWBVMMWTYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c1-14-10-15(6-9-26-14)22-19-11-16-13-30(23(31)27-20(16)12-21(19)28-29-22)24(7-8-24)17-2-4-18(25)5-3-17/h2-6,9-10,16,19-22,28-29H,7-8,11-13H2,1H3,(H,27,31).
What are the key properties of 6-[1-(4-fluorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one?
6-[1-(4-fluorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one has a molecular weight of 421.52 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-fluorophenyl)cyclopropyl]-3-(2-methyl-4-pyridinyl)-2,3,3a,4,4a,5,8,8a,9,9a-decahydro-1H-pyrazolo[4,3-g]quinazolin-7-one is sourced from PubChem (CID 138374334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).