4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide

C21H15N5OS2 — CID 59604033

About 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide

4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide (PubChem CID 59604033) has the molecular formula C21H15N5OS2 and a molecular weight of 417.52 g/mol. Its IUPAC name is 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
• PubChem CID: 59604033
• Molecular Formula: C21H15N5OS2
• Molecular Weight: 417.52 g/mol
• Exact Mass: 417.07
• IUPAC Name: 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide
• SMILES: O=C(NCc1ccsc1)c1cc(-c2cnn3cc(-c4cccnc4)cnc23)cs1
• InChI: InChI=1S/C21H15N5OS2/c27-21(24-7-14-3-5-28-12-14)19-6-16(13-29-19)18-10-25-26-11-17(9-23-20(18)26)15-2-1-4-22-8-15/h1-6,8-13H,7H2,(H,24,27)
• InChIKey: KUWWZHLNVMJTSZ-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.52
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?

The IUPAC name of 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide (CID 59604033) is 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide.

What is the SMILES notation for 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?

The canonical SMILES for 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide is O=C(NCc1ccsc1)c1cc(-c2cnn3cc(-c4cccnc4)cnc23)cs1.

What is the InChIKey of 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?

The InChIKey is KUWWZHLNVMJTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS2/c27-21(24-7-14-3-5-28-12-14)19-6-16(13-29-19)18-10-25-26-11-17(9-23-20(18)26)15-2-1-4-22-8-15/h1-6,8-13H,7H2,(H,24,27).

What are the key properties of 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide?

4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)-N-(thiophen-3-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 59604033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).