N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide

C19H17N7O2S — CID 157210934

About N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide

N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide (PubChem CID 157210934) has the molecular formula C19H17N7O2S and a molecular weight of 407.46 g/mol. Its IUPAC name is N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide
• PubChem CID: 157210934
• Molecular Formula: C19H17N7O2S
• Molecular Weight: 407.46 g/mol
• Exact Mass: 407.12
• IUPAC Name: N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide
• SMILES: C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3cnsc3)nc12
• InChI: InChI=1S/C19H17N7O2S/c1-10-11(5-17(27)22-10)4-12-7-20-26-16(23-14-2-3-14)6-15(24-18(12)26)25-19(28)13-8-21-29-9-13/h4,6-9,14,23H,1-3,5H2,(H,22,27)(H,24,25,28)/b11-4+
• InChIKey: IFDFORFXUDUXNL-NYYWCZLTSA-N
• XLogP: 2.43
• TPSA: 113.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.46
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide?

The IUPAC name of N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide (CID 157210934) is N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide.

What is the SMILES notation for N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide?

The canonical SMILES for N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide is C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3cnsc3)nc12.

What is the InChIKey of N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide?

The InChIKey is IFDFORFXUDUXNL-NYYWCZLTSA-N. The full InChI is InChI=1S/C19H17N7O2S/c1-10-11(5-17(27)22-10)4-12-7-20-26-16(23-14-2-3-14)6-15(24-18(12)26)25-19(28)13-8-21-29-9-13/h4,6-9,14,23H,1-3,5H2,(H,22,27)(H,24,25,28)/b11-4+.

What are the key properties of N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide?

N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide has a molecular weight of 407.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 157210934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).