N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

C25H24N6O5S — CID 136615429

About N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 136615429) has the molecular formula C25H24N6O5S and a molecular weight of 520.57 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

• Compound Name: N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
• PubChem CID: 136615429
• Molecular Formula: C25H24N6O5S
• Molecular Weight: 520.57 g/mol
• Exact Mass: 520.15
• IUPAC Name: N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
• SMILES: O=C(Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1ccc(S(=O)(=O)N2CCCC2)cc1
• InChI: InChI=1S/C25H24N6O5S/c32-23(16-8-10-17(11-9-16)37(34,35)30-12-1-2-13-30)27-22-15-20(21-7-4-14-36-21)29-31(22)25-26-19-6-3-5-18(19)24(33)28-25/h4,7-11,14-15H,1-3,5-6,12-13H2,(H,27,32)(H,26,28,33)
• InChIKey: OSMOJZYAPDZAMQ-UHFFFAOYSA-N
• XLogP: 2.74
• TPSA: 143.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.57
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?

The IUPAC name of N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 136615429) is N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-4-pyrrolidin-1-ylsulfonylbenzamide.

What is the SMILES notation for N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?

The canonical SMILES for N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2)c1ccc(S(=O)(=O)N2CCCC2)cc1.

What is the InChIKey of N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?

The InChIKey is OSMOJZYAPDZAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O5S/c32-23(16-8-10-17(11-9-16)37(34,35)30-12-1-2-13-30)27-22-15-20(21-7-4-14-36-21)29-31(22)25-26-19-6-3-5-18(19)24(33)28-25/h4,7-11,14-15H,1-3,5-6,12-13H2,(H,27,32)(H,26,28,33).

What are the key properties of N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-4-pyrrolidin-1-ylsulfonylbenzamide?

N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 520.57 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 136615429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).