6-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H18N6O3S — CID 55871172

About 6-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55871172) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 6-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 55871172
• Molecular Formula: C17H18N6O3S
• Molecular Weight: 386.44 g/mol
• Exact Mass: 386.12
• IUPAC Name: 6-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: CC(=O)c1csc(NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)n1
• InChI: InChI=1S/C17H18N6O3S/c1-8-11(9(2)23-16(20-8)12(6-19-23)15(18)26)4-5-14(25)22-17-21-13(7-27-17)10(3)24/h6-7H,4-5H2,1-3H3,(H2,18,26)(H,21,22,25)
• InChIKey: FXQWQHXDBCZNOU-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 132.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.44
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 6-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55871172) is 6-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 6-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 6-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(=O)c1csc(NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)n1.

What is the InChIKey of 6-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is FXQWQHXDBCZNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-8-11(9(2)23-16(20-8)12(6-19-23)15(18)26)4-5-14(25)22-17-21-13(7-27-17)10(3)24/h6-7H,4-5H2,1-3H3,(H2,18,26)(H,21,22,25).

What are the key properties of 6-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

6-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[(4-acetyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55871172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).