3-[5-(4-amino-2-methylpentoxy)-6-methyl-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C19H22N6O — CID 146260471

IUPAC3-[5-(4-amino-2-methylpentoxy)-6-methyl-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1nc(-c2cnn3cc(C#N)cnc23)ccc1OCC(C)CC(C)N
InChIInChI=1S/C19H22N6O/c1-12(6-13(2)21)11-26-18-5-4-17(24-14(18)3)16-9-23-25-10-15(7-20)8-22-19(16)25/h4-5,8-10,12-13H,6,11,21H2,1-3H3
InChIKeyIFCFVGIRTQAOLE-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.72
Rot. Bonds6

About 3-[5-(4-amino-2-methylpentoxy)-6-methyl-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile

3-[5-(4-amino-2-methylpentoxy)-6-methyl-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 146260471) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-[5-(4-amino-2-methylpentoxy)-6-methyl-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name3-[5-(4-amino-2-methylpentoxy)-6-methyl-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID146260471
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3-[5-(4-amino-2-methylpentoxy)-6-methyl-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1nc(-c2cnn3cc(C#N)cnc23)ccc1OCC(C)CC(C)N
InChIInChI=1S/C19H22N6O/c1-12(6-13(2)21)11-26-18-5-4-17(24-14(18)3)16-9-23-25-10-15(7-20)8-22-19(16)25/h4-5,8-10,12-13H,6,11,21H2,1-3H3
InChIKeyIFCFVGIRTQAOLE-UHFFFAOYSA-N
XLogP2.72
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Dorsomorphin
CID 11524144
Pyrazolo[1,5-a]pyrimidine 4h
CID 5329453
3-(6-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}pyrazolo[1,5-a]pyrimidin-3-yl)pyridine
CID 5329452
Methyl substituted pyrazole, 28
CID 23648676
N~7~-(4-Ethoxyphenyl)-6-Methyl-N~5~-[(3s)-Piperidin-3-Yl]pyrazolo[1,5-A]pyrimidine-5,7-Diamine
CID 49867482
2-(2-(6-methylpyridin-3-yloxy)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)-4-methylnicotinonitrile
CID 67098566
5-[[4-(Methylamino)-5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-piperidin-3-yloxypyridine-2-carbonitrile
CID 134508144
(2S)-1-[2-(difluoromethyl)-4-pyrazolo[1,5-a]pyrimidin-7-ylphenoxy]-2,4-dimethylpentan-2-amine
CID 135284803
Chk1-IN-3
CID 138454800
5-(4-Methoxyphenyl)-7-[(1-methylpyrazol-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 70694813
7-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1480420
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-amino-2-methylpentoxy)-6-methyl-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 3-[5-(4-amino-2-methylpentoxy)-6-methyl-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 146260471) is 3-[5-(4-amino-2-methylpentoxy)-6-methyl-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 3-[5-(4-amino-2-methylpentoxy)-6-methyl-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 3-[5-(4-amino-2-methylpentoxy)-6-methyl-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile is Cc1nc(-c2cnn3cc(C#N)cnc23)ccc1OCC(C)CC(C)N.
What is the InChIKey of 3-[5-(4-amino-2-methylpentoxy)-6-methyl-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is IFCFVGIRTQAOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12(6-13(2)21)11-26-18-5-4-17(24-14(18)3)16-9-23-25-10-15(7-20)8-22-19(16)25/h4-5,8-10,12-13H,6,11,21H2,1-3H3.
What are the key properties of 3-[5-(4-amino-2-methylpentoxy)-6-methyl-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
3-[5-(4-amino-2-methylpentoxy)-6-methyl-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 350.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-amino-2-methylpentoxy)-6-methyl-2-pyridinyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 146260471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).