4-[(2R)-4-hydroxy-2,4-dimethylpiperidin-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

C23H28N8O2 — CID 177313434

IUPAC4-[(2R)-4-hydroxy-2,4-dimethylpiperidin-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
SMILESC[C@@H]1CC(C)(O)CCN1c1cc(N2C3CCC2COC3)nc2c1c(C#N)nn2-c1ccn[nH]1
InChIInChI=1S/C23H28N8O2/c1-14-10-23(2,32)6-8-29(14)18-9-20(30-15-3-4-16(30)13-33-12-15)26-22-21(18)17(11-24)28-31(22)19-5-7-25-27-19/h5,7,9,14-16,32H,3-4,6,8,10,12-13H2,1-2H3,(H,25,27)/t14-,15?,16?,23?/m1/s1
InChIKeyJPBKEFPRUAKDKE-DUTYFCQDSA-N
MW448.53 g/mol
LogP2.12
Rot. Bonds3

About 4-[(2R)-4-hydroxy-2,4-dimethylpiperidin-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-[(2R)-4-hydroxy-2,4-dimethylpiperidin-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 177313434) has the molecular formula C23H28N8O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-[(2R)-4-hydroxy-2,4-dimethylpiperidin-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-[(2R)-4-hydroxy-2,4-dimethylpiperidin-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 CID177313434
Molecular FormulaC23H28N8O2
Molecular Weight448.53 g/mol
Exact Mass448.23
IUPAC Name4-[(2R)-4-hydroxy-2,4-dimethylpiperidin-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
SMILESC[C@@H]1CC(C)(O)CCN1c1cc(N2C3CCC2COC3)nc2c1c(C#N)nn2-c1ccn[nH]1
InChIInChI=1S/C23H28N8O2/c1-14-10-23(2,32)6-8-29(14)18-9-20(30-15-3-4-16(30)13-33-12-15)26-22-21(18)17(11-24)28-31(22)19-5-7-25-27-19/h5,7,9,14-16,32H,3-4,6,8,10,12-13H2,1-2H3,(H,25,27)/t14-,15?,16?,23?/m1/s1
InChIKeyJPBKEFPRUAKDKE-DUTYFCQDSA-N
XLogP2.12
TPSA119.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[(2R)-4-hydroxy-2,4-dimethylpiperidin-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

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Related Compounds

6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-4-[3-(trifluoromethyl)morpholin-4-yl]pyrazolo[5,4-b]pyridine-3-carbonitrile
CID 177313248
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
8-[4-[(2R)-2-methyl-4-methylsulfanylpiperidin-1-yl]-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 177313323
8-[4-[(2R)-2-methyl-4-methylsulfonylpiperidin-1-yl]-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 177313367
8-[4-[(3S)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 177313312
[(3R)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)-3-(1,1,1-trifluoropropan-2-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol
CID 177313426
[(3S)-4-[6-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]morpholin-3-yl]methanol
CID 177313438
N-methyl-6-(3-methylmorpholin-4-yl)-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 178015789
6-[(3R)-3-methylmorpholin-4-yl]-4-(3-oxaspiro[5.5]undecan-9-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 178066154
2-[5-hydroxy-2-methyl-5-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexyl]acetonitrile
CID 166092115
1-[3-amino-6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]cyclohexane-1-carboxamide
CID 178066142
8-[4-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[5,4-b]pyridin-6-yl]-3-oxa-8-azabicyclo[3.2.1]octane
CID 177313336

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-4-hydroxy-2,4-dimethylpiperidin-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-[(2R)-4-hydroxy-2,4-dimethylpiperidin-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 177313434) is 4-[(2R)-4-hydroxy-2,4-dimethylpiperidin-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-[(2R)-4-hydroxy-2,4-dimethylpiperidin-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-[(2R)-4-hydroxy-2,4-dimethylpiperidin-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 C[C@@H]1CC(C)(O)CCN1c1cc(N2C3CCC2COC3)nc2c1c(C#N)nn2-c1ccn[nH]1.
What is the InChIKey of 4-[(2R)-4-hydroxy-2,4-dimethylpiperidin-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 JPBKEFPRUAKDKE-DUTYFCQDSA-N. The full InChI is InChI=1S/C23H28N8O2/c1-14-10-23(2,32)6-8-29(14)18-9-20(30-15-3-4-16(30)13-33-12-15)26-22-21(18)17(11-24)28-31(22)19-5-7-25-27-19/h5,7,9,14-16,32H,3-4,6,8,10,12-13H2,1-2H3,(H,25,27)/t14-,15?,16?,23?/m1/s1.
What are the key properties of 4-[(2R)-4-hydroxy-2,4-dimethylpiperidin-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-[(2R)-4-hydroxy-2,4-dimethylpiperidin-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 448.53 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-4-hydroxy-2,4-dimethylpiperidin-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 177313434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).