[3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

C27H25F3N4O — CID 2475261

IUPAC[3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCc1nn(-c2ccccc2C(F)(F)F)c2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H](C)C3)c12
InChIInChI=1S/C27H25F3N4O/c1-17-9-8-14-33(16-17)26(35)20-15-22(19-10-4-3-5-11-19)31-25-24(20)18(2)32-34(25)23-13-7-6-12-21(23)27(28,29)30/h3-7,10-13,15,17H,8-9,14,16H2,1-2H3/t17-/m0/s1
InChIKeyLGGYSCRGBCPPTL-KRWDZBQOSA-N
MW478.52 g/mol
LogP6.29
Rot. Bonds3

About [3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

[3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 2475261) has the molecular formula C27H25F3N4O and a molecular weight of 478.52 g/mol. Its IUPAC name is [3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID2475261
Molecular FormulaC27H25F3N4O
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC Name[3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESCc1nn(-c2ccccc2C(F)(F)F)c2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H](C)C3)c12
InChIInChI=1S/C27H25F3N4O/c1-17-9-8-14-33(16-17)26(35)20-15-22(19-10-4-3-5-11-19)31-25-24(20)18(2)32-34(25)23-13-7-6-12-21(23)27(28,29)30/h3-7,10-13,15,17H,8-9,14,16H2,1-2H3/t17-/m0/s1
InChIKeyLGGYSCRGBCPPTL-KRWDZBQOSA-N
XLogP6.29
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51854350
3-methyl-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 5125639
[6-(4-methoxyphenyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51854053
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396591
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119396590
[1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 51854340
6-(furan-2-yl)-3-methyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxylate
CID 7797406
1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 119349357
(6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 997940
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 42931045
[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 3158188
3-methyl-N-[(3-methylphenyl)methylideneamino]-6-pyridin-4-yl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 2423029

Frequently Asked Questions

What is the IUPAC name of [3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (CID 2475261) is [3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is Cc1nn(-c2ccccc2C(F)(F)F)c2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H](C)C3)c12.
What is the InChIKey of [3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is LGGYSCRGBCPPTL-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H25F3N4O/c1-17-9-8-14-33(16-17)26(35)20-15-22(19-10-4-3-5-11-19)31-25-24(20)18(2)32-34(25)23-13-7-6-12-21(23)27(28,29)30/h3-7,10-13,15,17H,8-9,14,16H2,1-2H3/t17-/m0/s1.
What are the key properties of [3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
[3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 478.52 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 2475261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).