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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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).