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

C23H17ClN4O3S2 — CID 133081280

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

3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one (PubChem CID 133081280) has the molecular formula C23H17ClN4O3S2 and a molecular weight of 497.00 g/mol. Its IUPAC name is 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one
• PubChem CID: 133081280
• Molecular Formula: C23H17ClN4O3S2
• Molecular Weight: 497.00 g/mol
• Exact Mass: 496.04
• IUPAC Name: 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one
• SMILES: O=C(c1ccsc1)n1nc(-c2cccn(Cc3ccco3)c2=O)cc1NCc1ccc(Cl)s1
• InChI: InChI=1S/C23H17ClN4O3S2/c24-20-6-5-17(33-20)12-25-21-11-19(26-28(21)22(29)15-7-10-32-14-15)18-4-1-8-27(23(18)30)13-16-3-2-9-31-16/h1-11,14,25H,12-13H2
• InChIKey: METRKLQSXANTHB-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 82.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.00
LogP ≤ 5	5.43
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-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one?

The IUPAC name of 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one (CID 133081280) is 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one.

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

The canonical SMILES for 3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one is O=C(c1ccsc1)n1nc(-c2cccn(Cc3ccco3)c2=O)cc1NCc1ccc(Cl)s1.

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

The InChIKey is METRKLQSXANTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN4O3S2/c24-20-6-5-17(33-20)12-25-21-11-19(26-28(21)22(29)15-7-10-32-14-15)18-4-1-8-27(23(18)30)13-16-3-2-9-31-16/h1-11,14,25H,12-13H2.

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

3-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one has a molecular weight of 497.00 g/mol, XLogP of 5.43, 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-(thiophene-3-carbonyl)pyrazol-3-yl]-1-(furan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 133081280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).