N-[2-(azepan-1-yl)ethyl]-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

C20H26N6 — CID 56893687

IUPACN-[2-(azepan-1-yl)ethyl]-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(CCN1CCCCCC1)c1cc(-c2ccncc2)nc2ccnn12
InChIInChI=1S/C20H26N6/c1-24(14-15-25-12-4-2-3-5-13-25)20-16-18(17-6-9-21-10-7-17)23-19-8-11-22-26(19)20/h6-11,16H,2-5,12-15H2,1H3
InChIKeyGDQQMNAMUWVAFD-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.10
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-[2-(azepan-1-yl)ethyl]-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56893687) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56893687
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC NameN-[2-(azepan-1-yl)ethyl]-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCN(CCN1CCCCCC1)c1cc(-c2ccncc2)nc2ccnn12
InChIInChI=1S/C20H26N6/c1-24(14-15-25-12-4-2-3-5-13-25)20-16-18(17-6-9-21-10-7-17)23-19-8-11-22-26(19)20/h6-11,16H,2-5,12-15H2,1H3
InChIKeyGDQQMNAMUWVAFD-UHFFFAOYSA-N
XLogP3.10
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56893687) is N-[2-(azepan-1-yl)ethyl]-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is CN(CCN1CCCCCC1)c1cc(-c2ccncc2)nc2ccnn12.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is GDQQMNAMUWVAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-24(14-15-25-12-4-2-3-5-13-25)20-16-18(17-6-9-21-10-7-17)23-19-8-11-22-26(19)20/h6-11,16H,2-5,12-15H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[2-(azepan-1-yl)ethyl]-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 350.47 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-N-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56893687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).