[3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone

C23H18F2N4O — CID 146515765

IUPAC[3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
SMILESCn1nc2c(c1-c1ccc(F)cc1F)CCN(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C23H18F2N4O/c1-28-22(17-6-5-16(24)12-19(17)25)18-8-10-29(13-21(18)27-28)23(30)15-4-7-20-14(11-15)3-2-9-26-20/h2-7,9,11-12H,8,10,13H2,1H3
InChIKeyBNCUDHDGLPSEGT-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.11
Rot. Bonds2

About [3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone

[3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone (PubChem CID 146515765) has the molecular formula C23H18F2N4O and a molecular weight of 404.42 g/mol. Its IUPAC name is [3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone.

Molecular Properties

Compound Name[3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
PubChem CID146515765
Molecular FormulaC23H18F2N4O
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name[3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
SMILESCn1nc2c(c1-c1ccc(F)cc1F)CCN(C(=O)c1ccc3ncccc3c1)C2
InChIInChI=1S/C23H18F2N4O/c1-28-22(17-6-5-16(24)12-19(17)25)18-8-10-29(13-21(18)27-28)23(30)15-4-7-20-14(11-15)3-2-9-26-20/h2-7,9,11-12H,8,10,13H2,1H3
InChIKeyBNCUDHDGLPSEGT-UHFFFAOYSA-N
XLogP4.11
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146516310
[3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146515581
[3-(5-fluoro-3-pyridinyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
CID 146515465
[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone
CID 146515480
[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
CID 146515843
[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
CID 146516213
[(7S)-3-(2,3-difluorophenyl)-2,7-dimethyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146457733
cinnolin-3-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515546
[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone
CID 146515445
[(7R)-2,7-dimethyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146456707
(3-methylimidazo[1,5-a]pyridin-6-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515616
[4-(2-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone
CID 62850573

Frequently Asked Questions

What is the IUPAC name of [3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The IUPAC name of [3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone (CID 146515765) is [3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone.
What is the SMILES notation for [3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The canonical SMILES for [3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone is Cn1nc2c(c1-c1ccc(F)cc1F)CCN(C(=O)c1ccc3ncccc3c1)C2.
What is the InChIKey of [3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
The InChIKey is BNCUDHDGLPSEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O/c1-28-22(17-6-5-16(24)12-19(17)25)18-8-10-29(13-21(18)27-28)23(30)15-4-7-20-14(11-15)3-2-9-26-20/h2-7,9,11-12H,8,10,13H2,1H3.
What are the key properties of [3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone?
[3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone has a molecular weight of 404.42 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone is sourced from PubChem (CID 146515765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).