N-methyl-N-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine

C16H13N5S — CID 69003937

IUPACN-methyl-N-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCN(c1ccncc1)c1ccn2ncc(-c3ccsc3)c2n1
InChIInChI=1S/C16H13N5S/c1-20(13-2-6-17-7-3-13)15-4-8-21-16(19-15)14(10-18-21)12-5-9-22-11-12/h2-11H,1H3
InChIKeyWBZZGJYJHMBCAF-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.62
Rot. Bonds3

About N-methyl-N-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine

N-methyl-N-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 69003937) has the molecular formula C16H13N5S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-methyl-N-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-methyl-N-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID69003937
Molecular FormulaC16H13N5S
Molecular Weight307.38 g/mol
Exact Mass307.09
IUPAC NameN-methyl-N-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCN(c1ccncc1)c1ccn2ncc(-c3ccsc3)c2n1
InChIInChI=1S/C16H13N5S/c1-20(13-2-6-17-7-3-13)15-4-8-21-16(19-15)14(10-18-21)12-5-9-22-11-12/h2-11H,1H3
InChIKeyWBZZGJYJHMBCAF-UHFFFAOYSA-N
XLogP3.62
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-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 N-methyl-N-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-methyl-N-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 69003937) is N-methyl-N-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-methyl-N-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-methyl-N-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine is CN(c1ccncc1)c1ccn2ncc(-c3ccsc3)c2n1.
What is the InChIKey of N-methyl-N-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is WBZZGJYJHMBCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5S/c1-20(13-2-6-17-7-3-13)15-4-8-21-16(19-15)14(10-18-21)12-5-9-22-11-12/h2-11H,1H3.
What are the key properties of N-methyl-N-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine?
N-methyl-N-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 307.38 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyridin-4-yl-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 69003937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).