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

C26H23F3N4O — CID 134803111

IUPAC[1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESCn1ncc2c(C(=O)N3CCC(c4ccccc4)CC3)cc(-c3ccccc3C(F)(F)F)nc21
InChIInChI=1S/C26H23F3N4O/c1-32-24-21(16-30-32)20(15-23(31-24)19-9-5-6-10-22(19)26(27,28)29)25(34)33-13-11-18(12-14-33)17-7-3-2-4-8-17/h2-10,15-16,18H,11-14H2,1H3
InChIKeyQITYHWCHIRSEHT-UHFFFAOYSA-N
MW464.49 g/mol
LogP5.67
Rot. Bonds3

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

[1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 134803111) has the molecular formula C26H23F3N4O and a molecular weight of 464.49 g/mol. Its IUPAC name is [1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID134803111
Molecular FormulaC26H23F3N4O
Molecular Weight464.49 g/mol
Exact Mass464.18
IUPAC Name[1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESCn1ncc2c(C(=O)N3CCC(c4ccccc4)CC3)cc(-c3ccccc3C(F)(F)F)nc21
InChIInChI=1S/C26H23F3N4O/c1-32-24-21(16-30-32)20(15-23(31-24)19-9-5-6-10-22(19)26(27,28)29)25(34)33-13-11-18(12-14-33)17-7-3-2-4-8-17/h2-10,15-16,18H,11-14H2,1H3
InChIKeyQITYHWCHIRSEHT-UHFFFAOYSA-N
XLogP5.67
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone with MolForge

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Related Compounds

(6-cyclopropyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39580979
N-[(4-methoxyphenyl)methyl]-1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802696
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 44821575
(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821564
azepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 44822718
(4-hydroxypiperidin-1-yl)-[3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 112810042
(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 51854360
[6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-piperidin-1-ylmethanone
CID 134795215
(4-methylpiperidin-1-yl)-[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanone
CID 58211071
6-(2-fluorophenyl)-N,N,1-trimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134801674
ethyl 1-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylate
CID 134798634
N-cyclohexyl-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134804041

Frequently Asked Questions

What is the IUPAC name of [1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone (CID 134803111) is [1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone is Cn1ncc2c(C(=O)N3CCC(c4ccccc4)CC3)cc(-c3ccccc3C(F)(F)F)nc21.
What is the InChIKey of [1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is QITYHWCHIRSEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O/c1-32-24-21(16-30-32)20(15-23(31-24)19-9-5-6-10-22(19)26(27,28)29)25(34)33-13-11-18(12-14-33)17-7-3-2-4-8-17/h2-10,15-16,18H,11-14H2,1H3.
What are the key properties of [1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone?
[1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 464.49 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-6-[2-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 134803111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).