2-[4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]acetonitrile

C15H18N4O — CID 146160386

IUPAC2-[4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]acetonitrile
SMILESCc1[nH]nc2[nH]c(=O)cc(C3CCC(CC#N)CC3)c12
InChIInChI=1S/C15H18N4O/c1-9-14-12(8-13(20)17-15(14)19-18-9)11-4-2-10(3-5-11)6-7-16/h8,10-11H,2-6H2,1H3,(H2,17,18,19,20)
InChIKeyZPCWQNHNXIMUEY-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.75
Rot. Bonds2

About 2-[4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]acetonitrile

2-[4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]acetonitrile (PubChem CID 146160386) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]acetonitrile
PubChem CID146160386
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]acetonitrile
SMILESCc1[nH]nc2[nH]c(=O)cc(C3CCC(CC#N)CC3)c12
InChIInChI=1S/C15H18N4O/c1-9-14-12(8-13(20)17-15(14)19-18-9)11-4-2-10(3-5-11)6-7-16/h8,10-11H,2-6H2,1H3,(H2,17,18,19,20)
InChIKeyZPCWQNHNXIMUEY-UHFFFAOYSA-N
XLogP2.75
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]acetonitrile?
The IUPAC name of 2-[4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]acetonitrile (CID 146160386) is 2-[4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]acetonitrile.
What is the SMILES notation for 2-[4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]acetonitrile?
The canonical SMILES for 2-[4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]acetonitrile is Cc1[nH]nc2[nH]c(=O)cc(C3CCC(CC#N)CC3)c12.
What is the InChIKey of 2-[4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]acetonitrile?
The InChIKey is ZPCWQNHNXIMUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-9-14-12(8-13(20)17-15(14)19-18-9)11-4-2-10(3-5-11)6-7-16/h8,10-11H,2-6H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-[4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]acetonitrile?
2-[4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]acetonitrile has a molecular weight of 270.34 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridin-4-yl)cyclohexyl]acetonitrile is sourced from PubChem (CID 146160386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).