3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C20H19N5O — CID 68751853

IUPAC3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnn3c(NCCc4cccnc4)ccnc23)cc1
InChIInChI=1S/C20H19N5O/c1-26-17-6-4-16(5-7-17)18-14-24-25-19(9-12-23-20(18)25)22-11-8-15-3-2-10-21-13-15/h2-7,9-10,12-14,22H,8,11H2,1H3
InChIKeyZCKDNOWESNJVRP-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.45
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 68751853) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID68751853
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2cnn3c(NCCc4cccnc4)ccnc23)cc1
InChIInChI=1S/C20H19N5O/c1-26-17-6-4-16(5-7-17)18-14-24-25-19(9-12-23-20(18)25)22-11-8-15-3-2-10-21-13-15/h2-7,9-10,12-14,22H,8,11H2,1H3
InChIKeyZCKDNOWESNJVRP-UHFFFAOYSA-N
XLogP3.45
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 68751853) is 3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2cnn3c(NCCc4cccnc4)ccnc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ZCKDNOWESNJVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-26-17-6-4-16(5-7-17)18-14-24-25-19(9-12-23-20(18)25)22-11-8-15-3-2-10-21-13-15/h2-7,9-10,12-14,22H,8,11H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 345.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 68751853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).