[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone

C23H17F4N5O — CID 146515843

IUPAC[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
SMILESCn1nc2c(c1-c1cc(F)cc(C(F)(F)F)c1)CCN(C(=O)c1ccc3nccnc3c1)C2
InChIInChI=1S/C23H17F4N5O/c1-31-21(14-8-15(23(25,26)27)11-16(24)9-14)17-4-7-32(12-20(17)30-31)22(33)13-2-3-18-19(10-13)29-6-5-28-18/h2-3,5-6,8-11H,4,7,12H2,1H3
InChIKeyQCUTUXARHXPGIJ-UHFFFAOYSA-N
MW455.42 g/mol
LogP4.39
Rot. Bonds2

About [3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone

[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone (PubChem CID 146515843) has the molecular formula C23H17F4N5O and a molecular weight of 455.42 g/mol. Its IUPAC name is [3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
PubChem CID146515843
Molecular FormulaC23H17F4N5O
Molecular Weight455.42 g/mol
Exact Mass455.14
IUPAC Name[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
SMILESCn1nc2c(c1-c1cc(F)cc(C(F)(F)F)c1)CCN(C(=O)c1ccc3nccnc3c1)C2
InChIInChI=1S/C23H17F4N5O/c1-31-21(14-8-15(23(25,26)27)11-16(24)9-14)17-4-7-32(12-20(17)30-31)22(33)13-2-3-18-19(10-13)29-6-5-28-18/h2-3,5-6,8-11H,4,7,12H2,1H3
InChIKeyQCUTUXARHXPGIJ-UHFFFAOYSA-N
XLogP4.39
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.42
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[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-chlorophenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone
CID 146516213
[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
[3-(5-fluoro-2-methoxyphenyl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146516310
[3-fluoro-5-(1,2,4-triazol-1-yl)phenyl]-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515545
[3-(1-benzofuran-5-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinolin-6-ylmethanone
CID 146515581
[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
cinnolin-3-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146515546
6,8-dihydro-5H-pyrano[3,4-b]pyridin-4-yl-[2-methyl-3-(3,4,5-trifluorophenyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]methanone
CID 146516327

Frequently Asked Questions

What is the IUPAC name of [3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone (CID 146515843) is [3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone is Cn1nc2c(c1-c1cc(F)cc(C(F)(F)F)c1)CCN(C(=O)c1ccc3nccnc3c1)C2.
What is the InChIKey of [3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?
The InChIKey is QCUTUXARHXPGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N5O/c1-31-21(14-8-15(23(25,26)27)11-16(24)9-14)17-4-7-32(12-20(17)30-31)22(33)13-2-3-18-19(10-13)29-6-5-28-18/h2-3,5-6,8-11H,4,7,12H2,1H3.
What are the key properties of [3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone?
[3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone has a molecular weight of 455.42 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 146515843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).