(4-methylpiperidin-1-yl)-[6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]methanone

C14H15F3N4O — CID 91331530

IUPAC(4-methylpiperidin-1-yl)-[6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]methanone
SMILESCC1CCN(C(=O)n2ncc3ccc(C(F)(F)F)nc32)CC1
InChIInChI=1S/C14H15F3N4O/c1-9-4-6-20(7-5-9)13(22)21-12-10(8-18-21)2-3-11(19-12)14(15,16)17/h2-3,8-9H,4-7H2,1H3
InChIKeySEZYYJXIZSMBAU-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.15
Rot. Bonds

About (4-methylpiperidin-1-yl)-[6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]methanone

(4-methylpiperidin-1-yl)-[6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]methanone (PubChem CID 91331530) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]methanone
PubChem CID91331530
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name(4-methylpiperidin-1-yl)-[6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]methanone
SMILESCC1CCN(C(=O)n2ncc3ccc(C(F)(F)F)nc32)CC1
InChIInChI=1S/C14H15F3N4O/c1-9-4-6-20(7-5-9)13(22)21-12-10(8-18-21)2-3-11(19-12)14(15,16)17/h2-3,8-9H,4-7H2,1H3
InChIKeySEZYYJXIZSMBAU-UHFFFAOYSA-N
XLogP3.15
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]methanone (CID 91331530) is (4-methylpiperidin-1-yl)-[6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]methanone is CC1CCN(C(=O)n2ncc3ccc(C(F)(F)F)nc32)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]methanone?
The InChIKey is SEZYYJXIZSMBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-9-4-6-20(7-5-9)13(22)21-12-10(8-18-21)2-3-11(19-12)14(15,16)17/h2-3,8-9H,4-7H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]methanone?
(4-methylpiperidin-1-yl)-[6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]methanone has a molecular weight of 312.30 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]methanone is sourced from PubChem (CID 91331530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).