2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C18H17N5S — CID 95802443

IUPAC2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cccnc2)n2nc(C)c(-c3cccs3)c2n1
InChIInChI=1S/C18H17N5S/c1-12-9-16(20-11-14-5-3-7-19-10-14)23-18(21-12)17(13(2)22-23)15-6-4-8-24-15/h3-10,20H,11H2,1-2H3
InChIKeyXFGHBFSTNAEDGA-UHFFFAOYSA-N
MW335.44 g/mol
LogP4.08
Rot. Bonds4

About 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 95802443) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID95802443
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC Name2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2cccnc2)n2nc(C)c(-c3cccs3)c2n1
InChIInChI=1S/C18H17N5S/c1-12-9-16(20-11-14-5-3-7-19-10-14)23-18(21-12)17(13(2)22-23)15-6-4-8-24-15/h3-10,20H,11H2,1-2H3
InChIKeyXFGHBFSTNAEDGA-UHFFFAOYSA-N
XLogP4.08
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 95802443) is 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2cccnc2)n2nc(C)c(-c3cccs3)c2n1.
What is the InChIKey of 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is XFGHBFSTNAEDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5S/c1-12-9-16(20-11-14-5-3-7-19-10-14)23-18(21-12)17(13(2)22-23)15-6-4-8-24-15/h3-10,20H,11H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 335.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(pyridin-3-ylmethyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 95802443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).