7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C18H21N7 — CID 164570609

IUPAC7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCCc1c(C)nn2c(N)c(C#N)c(NCCc3ccc(C)cn3)nc12
InChIInChI=1S/C18H21N7/c1-4-14-12(3)24-25-16(20)15(9-19)17(23-18(14)25)21-8-7-13-6-5-11(2)10-22-13/h5-6,10H,4,7-8,20H2,1-3H3,(H,21,23)
InChIKeyJRMVKPDSUQICIX-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.41
Rot. Bonds5

About 7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 164570609) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID164570609
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCCc1c(C)nn2c(N)c(C#N)c(NCCc3ccc(C)cn3)nc12
InChIInChI=1S/C18H21N7/c1-4-14-12(3)24-25-16(20)15(9-19)17(23-18(14)25)21-8-7-13-6-5-11(2)10-22-13/h5-6,10H,4,7-8,20H2,1-3H3,(H,21,23)
InChIKeyJRMVKPDSUQICIX-UHFFFAOYSA-N
XLogP2.41
TPSA104.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 164570609) is 7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile is CCc1c(C)nn2c(N)c(C#N)c(NCCc3ccc(C)cn3)nc12.
What is the InChIKey of 7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is JRMVKPDSUQICIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c1-4-14-12(3)24-25-16(20)15(9-19)17(23-18(14)25)21-8-7-13-6-5-11(2)10-22-13/h5-6,10H,4,7-8,20H2,1-3H3,(H,21,23).
What are the key properties of 7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 335.42 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-ethyl-2-methyl-5-[2-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 164570609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).