4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one

C17H18F3N5O — CID 163385456

IUPAC4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2ccnc3c2CNN3)cc(N2CCCCC2C(F)(F)F)[nH]1
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)13-3-1-2-6-25(13)14-7-10(8-15(26)23-14)11-4-5-21-16-12(11)9-22-24-16/h4-5,7-8,13,22H,1-3,6,9H2,(H,21,24)(H,23,26)
InChIKeyQEQJUUDRIJWUCQ-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.79
Rot. Bonds2

About 4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one

4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one (PubChem CID 163385456) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one
PubChem CID163385456
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC Name4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2ccnc3c2CNN3)cc(N2CCCCC2C(F)(F)F)[nH]1
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)13-3-1-2-6-25(13)14-7-10(8-15(26)23-14)11-4-5-21-16-12(11)9-22-24-16/h4-5,7-8,13,22H,1-3,6,9H2,(H,21,24)(H,23,26)
InChIKeyQEQJUUDRIJWUCQ-UHFFFAOYSA-N
XLogP2.79
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one?
The IUPAC name of 4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one (CID 163385456) is 4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one is O=c1cc(-c2ccnc3c2CNN3)cc(N2CCCCC2C(F)(F)F)[nH]1.
What is the InChIKey of 4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one?
The InChIKey is QEQJUUDRIJWUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c18-17(19,20)13-3-1-2-6-25(13)14-7-10(8-15(26)23-14)11-4-5-21-16-12(11)9-22-24-16/h4-5,7-8,13,22H,1-3,6,9H2,(H,21,24)(H,23,26).
What are the key properties of 4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one?
4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one has a molecular weight of 365.36 g/mol, XLogP of 2.79, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl)-6-[2-(trifluoromethyl)piperidin-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 163385456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).