6-[1-(4-fluorophenyl)propan-2-yl]-3-(2-methyl-4-pyridinyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one

C25H21FN4O — CID 137101107

IUPAC6-[1-(4-fluorophenyl)propan-2-yl]-3-(2-methyl-4-pyridinyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one
SMILESCc1cc(-c2n[nH]c3cc4[nH]c(=O)c(C(C)Cc5ccc(F)cc5)cc4cc23)ccn1
InChIInChI=1S/C25H21FN4O/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/h3-8,10-14H,9H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyVUQPCQCZQFJUCE-UHFFFAOYSA-N
MW412.47 g/mol
LogP5.26
Rot. Bonds4

About 6-[1-(4-fluorophenyl)propan-2-yl]-3-(2-methyl-4-pyridinyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one

6-[1-(4-fluorophenyl)propan-2-yl]-3-(2-methyl-4-pyridinyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one (PubChem CID 137101107) has the molecular formula C25H21FN4O and a molecular weight of 412.47 g/mol. Its IUPAC name is 6-[1-(4-fluorophenyl)propan-2-yl]-3-(2-methyl-4-pyridinyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one.

Molecular Properties

Compound Name6-[1-(4-fluorophenyl)propan-2-yl]-3-(2-methyl-4-pyridinyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one
PubChem CID137101107
Molecular FormulaC25H21FN4O
Molecular Weight412.47 g/mol
Exact Mass412.17
IUPAC Name6-[1-(4-fluorophenyl)propan-2-yl]-3-(2-methyl-4-pyridinyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one
SMILESCc1cc(-c2n[nH]c3cc4[nH]c(=O)c(C(C)Cc5ccc(F)cc5)cc4cc23)ccn1
InChIInChI=1S/C25H21FN4O/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/h3-8,10-14H,9H2,1-2H3,(H,28,31)(H,29,30)
InChIKeyVUQPCQCZQFJUCE-UHFFFAOYSA-N
XLogP5.26
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[1-(4-fluorophenyl)propan-2-yl]-3-(2-methyl-4-pyridinyl)-1,8-dihydropyrazolo[4,5-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)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one?
The IUPAC name of 6-[1-(4-fluorophenyl)propan-2-yl]-3-(2-methyl-4-pyridinyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one (CID 137101107) is 6-[1-(4-fluorophenyl)propan-2-yl]-3-(2-methyl-4-pyridinyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one.
What is the SMILES notation for 6-[1-(4-fluorophenyl)propan-2-yl]-3-(2-methyl-4-pyridinyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one?
The canonical SMILES for 6-[1-(4-fluorophenyl)propan-2-yl]-3-(2-methyl-4-pyridinyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one is Cc1cc(-c2n[nH]c3cc4[nH]c(=O)c(C(C)Cc5ccc(F)cc5)cc4cc23)ccn1.
What is the InChIKey of 6-[1-(4-fluorophenyl)propan-2-yl]-3-(2-methyl-4-pyridinyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one?
The InChIKey is VUQPCQCZQFJUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O/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/h3-8,10-14H,9H2,1-2H3,(H,28,31)(H,29,30).
What are the key properties of 6-[1-(4-fluorophenyl)propan-2-yl]-3-(2-methyl-4-pyridinyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one?
6-[1-(4-fluorophenyl)propan-2-yl]-3-(2-methyl-4-pyridinyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one has a molecular weight of 412.47 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-fluorophenyl)propan-2-yl]-3-(2-methyl-4-pyridinyl)-1,8-dihydropyrazolo[4,5-g]quinolin-7-one is sourced from PubChem (CID 137101107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).