N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide

C16H12N6OS — CID 11996710

IUPACN-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide
SMILESNc1ncnc2c1cnn2-c1ccc(NC(=O)c2ccsc2)cc1
InChIInChI=1S/C16H12N6OS/c17-14-13-7-20-22(15(13)19-9-18-14)12-3-1-11(2-4-12)21-16(23)10-5-6-24-8-10/h1-9H,(H,21,23)(H2,17,18,19)
InChIKeyBDLHZDXBBYPEOQ-UHFFFAOYSA-N
MW336.38 g/mol
LogP2.71
Rot. Bonds3

About N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide

N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide (PubChem CID 11996710) has the molecular formula C16H12N6OS and a molecular weight of 336.38 g/mol. Its IUPAC name is N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide
PubChem CID11996710
Molecular FormulaC16H12N6OS
Molecular Weight336.38 g/mol
Exact Mass336.08
IUPAC NameN-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide
SMILESNc1ncnc2c1cnn2-c1ccc(NC(=O)c2ccsc2)cc1
InChIInChI=1S/C16H12N6OS/c17-14-13-7-20-22(15(13)19-9-18-14)12-3-1-11(2-4-12)21-16(23)10-5-6-24-8-10/h1-9H,(H,21,23)(H2,17,18,19)
InChIKeyBDLHZDXBBYPEOQ-UHFFFAOYSA-N
XLogP2.71
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]morpholine-4-carboxamide
CID 11996107
N-[2-(4-aminophenyl)pyrazol-3-yl]thiophene-3-carboxamide
CID 62881561
N-pyrimidin-5-ylthiophene-3-carboxamide
CID 91557121
N-(6-fluoro-3-pyridinyl)thiophene-3-carboxamide
CID 103789756
N-(4-acetylphenyl)thiophene-3-carboxamide
CID 24703153
1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(3-methoxyphenyl)urea
CID 11996253
1-(4-ethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82192766
1-(3,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 82192765
N-[4-(4-methylpiperidin-1-yl)phenyl]thiophene-3-carboxamide
CID 9303445
N-(4-amino-3-chlorophenyl)thiophene-3-carboxamide
CID 82862106
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-3-carboxamide
CID 31520445
N-phenyl-3-[(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]benzamide
CID 55861691

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide (CID 11996710) is N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide is Nc1ncnc2c1cnn2-c1ccc(NC(=O)c2ccsc2)cc1.
What is the InChIKey of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide?
The InChIKey is BDLHZDXBBYPEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6OS/c17-14-13-7-20-22(15(13)19-9-18-14)12-3-1-11(2-4-12)21-16(23)10-5-6-24-8-10/h1-9H,(H,21,23)(H2,17,18,19).
What are the key properties of N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide?
N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 11996710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).