3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one

C24H18ClN5O3S — CID 133081249

About 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one

3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one (PubChem CID 133081249) has the molecular formula C24H18ClN5O3S and a molecular weight of 491.96 g/mol. Its IUPAC name is 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
• PubChem CID: 133081249
• Molecular Formula: C24H18ClN5O3S
• Molecular Weight: 491.96 g/mol
• Exact Mass: 491.08
• IUPAC Name: 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one
• SMILES: O=C(c1ccco1)n1nc(-c2cccn(Cc3ccccn3)c2=O)cc1NCc1ccc(Cl)s1
• InChI: InChI=1S/C24H18ClN5O3S/c25-21-9-8-17(34-21)14-27-22-13-19(28-30(22)24(32)20-7-4-12-33-20)18-6-3-11-29(23(18)31)15-16-5-1-2-10-26-16/h1-13,27H,14-15H2
• InChIKey: UTBDJJVUPGLTEY-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 94.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.96
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?

The IUPAC name of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one (CID 133081249) is 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one.

What is the SMILES notation for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?

The canonical SMILES for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one is O=C(c1ccco1)n1nc(-c2cccn(Cc3ccccn3)c2=O)cc1NCc1ccc(Cl)s1.

What is the InChIKey of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?

The InChIKey is UTBDJJVUPGLTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O3S/c25-21-9-8-17(34-21)14-27-22-13-19(28-30(22)24(32)20-7-4-12-33-20)18-6-3-11-29(23(18)31)15-16-5-1-2-10-26-16/h1-13,27H,14-15H2.

What are the key properties of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one?

3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one has a molecular weight of 491.96 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(furan-2-carbonyl)pyrazol-3-yl]-1-(pyridin-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 133081249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).