3-amino-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one

C24H19FN4O2 — CID 23154137

IUPAC3-amino-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cccc(F)c4)nc3c3ccccc32)cc1
InChIInChI=1S/C24H19FN4O2/c1-31-18-11-9-15(10-12-18)14-28-20-8-3-2-7-19(20)22-21(24(28)30)23(26)29(27-22)17-6-4-5-16(25)13-17/h2-13H,14,26H2,1H3
InChIKeyZAPCBZBRGKSQDB-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.12
Rot. Bonds4

About 3-amino-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one

3-amino-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (PubChem CID 23154137) has the molecular formula C24H19FN4O2 and a molecular weight of 414.44 g/mol. Its IUPAC name is 3-amino-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
PubChem CID23154137
Molecular FormulaC24H19FN4O2
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name3-amino-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one
SMILESCOc1ccc(Cn2c(=O)c3c(N)n(-c4cccc(F)c4)nc3c3ccccc32)cc1
InChIInChI=1S/C24H19FN4O2/c1-31-18-11-9-15(10-12-18)14-28-20-8-3-2-7-19(20)22-21(24(28)30)23(26)29(27-22)17-6-4-5-16(25)13-17/h2-13H,14,26H2,1H3
InChIKeyZAPCBZBRGKSQDB-UHFFFAOYSA-N
XLogP4.12
TPSA75.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Methoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136391507
7-[2-(Prop-2-enoylamino)phenyl]-2-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983721
2-(4-Phenoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983748
9-[3-(dimethylamino)propoxy]-2-(4-phenoxyphenyl)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 135971394
4-(3-methoxybenzyl)-2-methylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 1481851
7-(2-(Methylamino)phenyl)-2-(4-phenoxy phenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136928070
7-(2-(N-methylacrylamido)phenyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983730
7-(2-Aminophenyl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983757
2-(4-Fluoro-3-methoxyphenyl)-7-[2-(prop-2-enoylamino)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983722
7-(2-Acrylamidophenyl)-2-(4-(benzyloxy)phenyl)-4,5,6,7-tetrahydro pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136983733
US9447106, 6a (peak 1)
CID 137228129
US9447106, 6b (peak 2)
CID 137228130

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-amino-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one (CID 23154137) is 3-amino-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-amino-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-amino-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is COc1ccc(Cn2c(=O)c3c(N)n(-c4cccc(F)c4)nc3c3ccccc32)cc1.
What is the InChIKey of 3-amino-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
The InChIKey is ZAPCBZBRGKSQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2/c1-31-18-11-9-15(10-12-18)14-28-20-8-3-2-7-19(20)22-21(24(28)30)23(26)29(27-22)17-6-4-5-16(25)13-17/h2-13H,14,26H2,1H3.
What are the key properties of 3-amino-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one?
3-amino-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one has a molecular weight of 414.44 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-fluorophenyl)-5-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 23154137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).