4-[(2S,4S)-4-methoxy-2-(trifluoromethyl)piperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile

C23H25F3N8O2 — CID 177313529

IUPAC4-[(2S,4S)-4-methoxy-2-(trifluoromethyl)piperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile
SMILESCO[C@H]1CCN(c2cc(N3C4CCC3COC4)nc3c2c(C#N)nn3-c2ccn[nH]2)[C@H](C(F)(F)F)C1
InChIInChI=1S/C23H25F3N8O2/c1-35-15-5-7-32(18(8-15)23(24,25)26)17-9-20(33-13-2-3-14(33)12-36-11-13)29-22-21(17)16(10-27)31-34(22)19-4-6-28-30-19/h4,6,9,13-15,18H,2-3,5,7-8,11-12H2,1H3,(H,28,30)/t13?,14?,15-,18-/m0/s1
InChIKeyWVGCAFWMUBXQBQ-GULCKSEBSA-N
MW502.50 g/mol
LogP2.93
Rot. Bonds4

About 4-[(2S,4S)-4-methoxy-2-(trifluoromethyl)piperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile

4-[(2S,4S)-4-methoxy-2-(trifluoromethyl)piperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile (PubChem CID 177313529) has the molecular formula C23H25F3N8O2 and a molecular weight of 502.50 g/mol. Its IUPAC name is 4-[(2S,4S)-4-methoxy-2-(trifluoromethyl)piperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(2S,4S)-4-methoxy-2-(trifluoromethyl)piperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile
PubChem CID177313529
Molecular FormulaC23H25F3N8O2
Molecular Weight502.50 g/mol
Exact Mass502.21
IUPAC Name4-[(2S,4S)-4-methoxy-2-(trifluoromethyl)piperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile
SMILESCO[C@H]1CCN(c2cc(N3C4CCC3COC4)nc3c2c(C#N)nn3-c2ccn[nH]2)[C@H](C(F)(F)F)C1
InChIInChI=1S/C23H25F3N8O2/c1-35-15-5-7-32(18(8-15)23(24,25)26)17-9-20(33-13-2-3-14(33)12-36-11-13)29-22-21(17)16(10-27)31-34(22)19-4-6-28-30-19/h4,6,9,13-15,18H,2-3,5,7-8,11-12H2,1H3,(H,28,30)/t13?,14?,15-,18-/m0/s1
InChIKeyWVGCAFWMUBXQBQ-GULCKSEBSA-N
XLogP2.93
TPSA108.12 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[(2S,4S)-4-methoxy-2-(trifluoromethyl)piperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile 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-[(2S,4S)-4-methoxy-2-(trifluoromethyl)piperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile?
The IUPAC name of 4-[(2S,4S)-4-methoxy-2-(trifluoromethyl)piperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile (CID 177313529) is 4-[(2S,4S)-4-methoxy-2-(trifluoromethyl)piperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(2S,4S)-4-methoxy-2-(trifluoromethyl)piperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-[(2S,4S)-4-methoxy-2-(trifluoromethyl)piperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile is CO[C@H]1CCN(c2cc(N3C4CCC3COC4)nc3c2c(C#N)nn3-c2ccn[nH]2)[C@H](C(F)(F)F)C1.
What is the InChIKey of 4-[(2S,4S)-4-methoxy-2-(trifluoromethyl)piperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile?
The InChIKey is WVGCAFWMUBXQBQ-GULCKSEBSA-N. The full InChI is InChI=1S/C23H25F3N8O2/c1-35-15-5-7-32(18(8-15)23(24,25)26)17-9-20(33-13-2-3-14(33)12-36-11-13)29-22-21(17)16(10-27)31-34(22)19-4-6-28-30-19/h4,6,9,13-15,18H,2-3,5,7-8,11-12H2,1H3,(H,28,30)/t13?,14?,15-,18-/m0/s1.
What are the key properties of 4-[(2S,4S)-4-methoxy-2-(trifluoromethyl)piperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile?
4-[(2S,4S)-4-methoxy-2-(trifluoromethyl)piperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile has a molecular weight of 502.50 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,4S)-4-methoxy-2-(trifluoromethyl)piperidin-1-yl]-6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 177313529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).