N-(1-propan-2-ylpyrazol-4-yl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C15H15N7S — CID 90104664

IUPACN-(1-propan-2-ylpyrazol-4-yl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)n1cc(Nc2nc(-c3cccs3)nc3cn[nH]c23)cn1
InChIInChI=1S/C15H15N7S/c1-9(2)22-8-10(6-17-22)18-15-13-11(7-16-21-13)19-14(20-15)12-4-3-5-23-12/h3-9H,1-2H3,(H,16,21)(H,18,19,20)
InChIKeyWYLFAWDIMQIGGZ-UHFFFAOYSA-N
MW325.40 g/mol
LogP3.60
Rot. Bonds4

About N-(1-propan-2-ylpyrazol-4-yl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine

N-(1-propan-2-ylpyrazol-4-yl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 90104664) has the molecular formula C15H15N7S and a molecular weight of 325.40 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrazol-4-yl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrazol-4-yl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID90104664
Molecular FormulaC15H15N7S
Molecular Weight325.40 g/mol
Exact Mass325.11
IUPAC NameN-(1-propan-2-ylpyrazol-4-yl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)n1cc(Nc2nc(-c3cccs3)nc3cn[nH]c23)cn1
InChIInChI=1S/C15H15N7S/c1-9(2)22-8-10(6-17-22)18-15-13-11(7-16-21-13)19-14(20-15)12-4-3-5-23-12/h3-9H,1-2H3,(H,16,21)(H,18,19,20)
InChIKeyWYLFAWDIMQIGGZ-UHFFFAOYSA-N
XLogP3.60
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-propan-2-ylpyrazol-4-yl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]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 N-(1-propan-2-ylpyrazol-4-yl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 90104664) is N-(1-propan-2-ylpyrazol-4-yl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(1-propan-2-ylpyrazol-4-yl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(1-propan-2-ylpyrazol-4-yl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine is CC(C)n1cc(Nc2nc(-c3cccs3)nc3cn[nH]c23)cn1.
What is the InChIKey of N-(1-propan-2-ylpyrazol-4-yl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is WYLFAWDIMQIGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7S/c1-9(2)22-8-10(6-17-22)18-15-13-11(7-16-21-13)19-14(20-15)12-4-3-5-23-12/h3-9H,1-2H3,(H,16,21)(H,18,19,20).
What are the key properties of N-(1-propan-2-ylpyrazol-4-yl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
N-(1-propan-2-ylpyrazol-4-yl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 325.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrazol-4-yl)-5-thiophen-2-yl-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 90104664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).