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

C24H17F5N4O — CID 146515480

IUPAC[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone
SMILESCn1nc2c(c1-c1cc(F)cc(F)c1)CCN(C(=O)c1ccc3ncc(C(F)(F)F)cc3c1)C2
InChIInChI=1S/C24H17F5N4O/c1-32-22(15-8-17(25)10-18(26)9-15)19-4-5-33(12-21(19)31-32)23(34)13-2-3-20-14(6-13)7-16(11-30-20)24(27,28)29/h2-3,6-11H,4-5,12H2,1H3
InChIKeyUXVCAOAIGCPFNP-UHFFFAOYSA-N
MW472.42 g/mol
LogP5.13
Rot. Bonds2

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

[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone (PubChem CID 146515480) has the molecular formula C24H17F5N4O and a molecular weight of 472.42 g/mol. Its IUPAC name is [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone.

Molecular Properties

Compound Name[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone
PubChem CID146515480
Molecular FormulaC24H17F5N4O
Molecular Weight472.42 g/mol
Exact Mass472.13
IUPAC Name[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone
SMILESCn1nc2c(c1-c1cc(F)cc(F)c1)CCN(C(=O)c1ccc3ncc(C(F)(F)F)cc3c1)C2
InChIInChI=1S/C24H17F5N4O/c1-32-22(15-8-17(25)10-18(26)9-15)19-4-5-33(12-21(19)31-32)23(34)13-2-3-20-14(6-13)7-16(11-30-20)24(27,28)29/h2-3,6-11H,4-5,12H2,1H3
InChIKeyUXVCAOAIGCPFNP-UHFFFAOYSA-N
XLogP5.13
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.42
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone with MolForge

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Related Compounds

[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-(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]-[4-fluoro-3-(2-fluoroethoxy)phenyl]methanone
CID 146515445
[3-(2,4-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146515765
(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
[2-chloro-5-(2-fluoroethoxy)phenyl]-[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146516229
[3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146516310
[3-(3-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
CID 146516213
[3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146515581
cinnolin-3-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515546
(2,6-dimethylquinolin-4-yl)-[2-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 166766823
(5-methylimidazo[1,2-a]pyridin-3-yl)-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515745

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone?
The IUPAC name of [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) is [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone.
What is the SMILES notation for [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone?
The canonical SMILES for [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone is Cn1nc2c(c1-c1cc(F)cc(F)c1)CCN(C(=O)c1ccc3ncc(C(F)(F)F)cc3c1)C2.
What is the InChIKey of [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone?
The InChIKey is UXVCAOAIGCPFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F5N4O/c1-32-22(15-8-17(25)10-18(26)9-15)19-4-5-33(12-21(19)31-32)23(34)13-2-3-20-14(6-13)7-16(11-30-20)24(27,28)29/h2-3,6-11H,4-5,12H2,1H3.
What are the key properties of [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone?
[3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone has a molecular weight of 472.42 g/mol, XLogP of 5.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-difluorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-[3-(trifluoromethyl)quinolin-6-yl]methanone is sourced from PubChem (CID 146515480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).