5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile

C18H19N7O — CID 155365271

IUPAC5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile
SMILESCc1cnc(C#N)cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1
InChIInChI=1S/C18H19N7O/c1-11-9-20-13(8-19)7-16(11)22-18-21-10-15-12(2)24-25(17(15)23-18)14-3-5-26-6-4-14/h7,9-10,14H,3-6H2,1-2H3,(H,20,21,22,23)
InChIKeyQZQWVFCLFNUUNU-UHFFFAOYSA-N
MW349.40 g/mol
LogP2.80
Rot. Bonds3

About 5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile

5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile (PubChem CID 155365271) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile
PubChem CID155365271
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile
SMILESCc1cnc(C#N)cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1
InChIInChI=1S/C18H19N7O/c1-11-9-20-13(8-19)7-16(11)22-18-21-10-15-12(2)24-25(17(15)23-18)14-3-5-26-6-4-14/h7,9-10,14H,3-6H2,1-2H3,(H,20,21,22,23)
InChIKeyQZQWVFCLFNUUNU-UHFFFAOYSA-N
XLogP2.80
TPSA101.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 155365359
6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-amine;N-(7-chloro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 167682373
bis(3-methyl-1-(2-methyloxan-4-yl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(4-[3-methyl-6-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexan-1-ol);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxepan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine)
CID 167707354
7-methyl-N-[3-methyl-1-(thiolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]quinoxalin-6-amine
CID 176918932
N-[1-(1,1-dimethylthian-4-yl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]-7-methylquinolin-6-amine
CID 176918997
1-(4,4-difluorocyclohexyl)-3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 155365263
6-methoxy-2-methyl-N-[3-methyl-1-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-yl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 165171905
5-chloro-7-methyl-N-[3-methyl-1-(oxan-4-yl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 163700363
3-methyl-4-[[7-methyl-9-(oxan-4-yl)-8-sulfanylidenepurin-2-yl]amino]benzonitrile
CID 175603761
4-methyl-5-[[7-methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]amino]-2-(2-methylpyrazol-3-yl)benzonitrile
CID 164544728
2-[[1-methyl-3-(oxetan-3-yloxy)pyrazol-4-yl]amino]-7-(oxan-4-yl)pyrrolo[2,3-d]pyrimidine-6-carbonitrile
CID 166178193
2-fluoro-3-methyl-4-[[7-methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]amino]benzonitrile
CID 156889767

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile (CID 155365271) is 5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile is Cc1cnc(C#N)cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1.
What is the InChIKey of 5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile?
The InChIKey is QZQWVFCLFNUUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-11-9-20-13(8-19)7-16(11)22-18-21-10-15-12(2)24-25(17(15)23-18)14-3-5-26-6-4-14/h7,9-10,14H,3-6H2,1-2H3,(H,20,21,22,23).
What are the key properties of 5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile?
5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile has a molecular weight of 349.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 155365271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).