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

C25H31FN4O — CID 138374372

IUPAC6-[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
SMILESCc1cc(C2NNC3CC4NC(=O)C(C(C)Cc5ccc(F)cc5)CC4CC32)ccn1
InChIInChI=1S/C25H31FN4O/c1-14(9-16-3-5-19(26)6-4-16)20-11-18-12-21-23(13-22(18)28-25(20)31)29-30-24(21)17-7-8-27-15(2)10-17/h3-8,10,14,18,20-24,29-30H,9,11-13H2,1-2H3,(H,28,31)
InChIKeyIKKZPDDQPDFGPJ-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.46
Rot. Bonds4

About 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

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 (PubChem CID 138374372) has the molecular formula C25H31FN4O and a molecular weight of 422.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID138374372
Molecular FormulaC25H31FN4O
Molecular Weight422.55 g/mol
Exact Mass422.25
IUPAC Name6-[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
SMILESCc1cc(C2NNC3CC4NC(=O)C(C(C)Cc5ccc(F)cc5)CC4CC32)ccn1
InChIInChI=1S/C25H31FN4O/c1-14(9-16-3-5-19(26)6-4-16)20-11-18-12-21-23(13-22(18)28-25(20)31)29-30-24(21)17-7-8-27-15(2)10-17/h3-8,10,14,18,20-24,29-30H,9,11-13H2,1-2H3,(H,28,31)
InChIKeyIKKZPDDQPDFGPJ-UHFFFAOYSA-N
XLogP3.46
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 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 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-[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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C2NNC3CC4NC(=O)C(C(C)Cc5ccc(F)cc5)CC4CC32)ccn1.
What is the InChIKey of 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?
The InChIKey is IKKZPDDQPDFGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O/c1-14(9-16-3-5-19(26)6-4-16)20-11-18-12-21-23(13-22(18)28-25(20)31)29-30-24(21)17-7-8-27-15(2)10-17/h3-8,10,14,18,20-24,29-30H,9,11-13H2,1-2H3,(H,28,31).
What are the key properties of 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?
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 has a molecular weight of 422.55 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138374372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).