3-(2-chloro-5-propan-2-ylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-6-carbonitrile

C19H19ClN6O — CID 145444213

IUPAC3-(2-chloro-5-propan-2-ylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-6-carbonitrile
SMILESCC(C)c1cnc(Cl)nc1-c1nn(C2CCCCO2)c2nc(C#N)ccc12
InChIInChI=1S/C19H19ClN6O/c1-11(2)14-10-22-19(20)24-16(14)17-13-7-6-12(9-21)23-18(13)26(25-17)15-5-3-4-8-27-15/h6-7,10-11,15H,3-5,8H2,1-2H3
InChIKeyUTDJLQTXSWCLTE-UHFFFAOYSA-N
MW382.86 g/mol
LogP4.24
Rot. Bonds3

About 3-(2-chloro-5-propan-2-ylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-6-carbonitrile

3-(2-chloro-5-propan-2-ylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-6-carbonitrile (PubChem CID 145444213) has the molecular formula C19H19ClN6O and a molecular weight of 382.86 g/mol. Its IUPAC name is 3-(2-chloro-5-propan-2-ylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-6-carbonitrile.

Molecular Properties

Compound Name3-(2-chloro-5-propan-2-ylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-6-carbonitrile
PubChem CID145444213
Molecular FormulaC19H19ClN6O
Molecular Weight382.86 g/mol
Exact Mass382.13
IUPAC Name3-(2-chloro-5-propan-2-ylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-6-carbonitrile
SMILESCC(C)c1cnc(Cl)nc1-c1nn(C2CCCCO2)c2nc(C#N)ccc12
InChIInChI=1S/C19H19ClN6O/c1-11(2)14-10-22-19(20)24-16(14)17-13-7-6-12(9-21)23-18(13)26(25-17)15-5-3-4-8-27-15/h6-7,10-11,15H,3-5,8H2,1-2H3
InChIKeyUTDJLQTXSWCLTE-UHFFFAOYSA-N
XLogP4.24
TPSA89.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-3-(1-methylpyrazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 86722868
tert-butyl (3S)-3-[[4-[6-cyano-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 139339147
2-[(2S)-oxan-2-yl]pyrazole-3-carbonitrile
CID 129410450
3-(2-chloropyrimidin-5-yl)-5-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-1-(oxan-2-yl)indazole
CID 169101649
6-isocyano-3-(5-methyl-2-methylsulfonylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
CID 167587379
3-chloro-5-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazine
CID 118988228
3-(chloromethyl)-6-methyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine
CID 143866443
5-bromo-1-(oxan-2-yl)pyrazole-3-carbonitrile
CID 167513885
1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480
3-[4-(2-methylpropoxy)phenyl]-1-(oxan-2-yl)indazole-5-carbonitrile
CID 22480050
3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine
CID 141132128
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-3-yl]-5-methyl-N-(4-methylcyclohexyl)pyrimidin-2-amine
CID 163844753

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-propan-2-ylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-6-carbonitrile?
The IUPAC name of 3-(2-chloro-5-propan-2-ylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-6-carbonitrile (CID 145444213) is 3-(2-chloro-5-propan-2-ylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-6-carbonitrile.
What is the SMILES notation for 3-(2-chloro-5-propan-2-ylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-6-carbonitrile?
The canonical SMILES for 3-(2-chloro-5-propan-2-ylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-6-carbonitrile is CC(C)c1cnc(Cl)nc1-c1nn(C2CCCCO2)c2nc(C#N)ccc12.
What is the InChIKey of 3-(2-chloro-5-propan-2-ylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-6-carbonitrile?
The InChIKey is UTDJLQTXSWCLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O/c1-11(2)14-10-22-19(20)24-16(14)17-13-7-6-12(9-21)23-18(13)26(25-17)15-5-3-4-8-27-15/h6-7,10-11,15H,3-5,8H2,1-2H3.
What are the key properties of 3-(2-chloro-5-propan-2-ylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-6-carbonitrile?
3-(2-chloro-5-propan-2-ylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-6-carbonitrile has a molecular weight of 382.86 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-propan-2-ylpyrimidin-4-yl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine-6-carbonitrile is sourced from PubChem (CID 145444213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).