2-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide

C19H15N5O2S — CID 11516374

IUPAC2-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
SMILESNCC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C19H15N5O2S/c20-10-17(25)23-13-4-1-3-12(9-13)15-6-7-21-19-14(11-22-24(15)19)18(26)16-5-2-8-27-16/h1-9,11H,10,20H2,(H,23,25)
InChIKeyQIPSHGIBCKRHDJ-UHFFFAOYSA-N
MW377.43 g/mol
LogP2.59
Rot. Bonds5

About 2-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide

2-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide (PubChem CID 11516374) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
PubChem CID11516374
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name2-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
SMILESNCC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C19H15N5O2S/c20-10-17(25)23-13-4-1-3-12(9-13)15-6-7-21-19-14(11-22-24(15)19)18(26)16-5-2-8-27-16/h1-9,11H,10,20H2,(H,23,25)
InChIKeyQIPSHGIBCKRHDJ-UHFFFAOYSA-N
XLogP2.59
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide 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-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
The IUPAC name of 2-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide (CID 11516374) is 2-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide is NCC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1.
What is the InChIKey of 2-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
The InChIKey is QIPSHGIBCKRHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c20-10-17(25)23-13-4-1-3-12(9-13)15-6-7-21-19-14(11-22-24(15)19)18(26)16-5-2-8-27-16/h1-9,11H,10,20H2,(H,23,25).
What are the key properties of 2-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide?
2-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide has a molecular weight of 377.43 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide is sourced from PubChem (CID 11516374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).