5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-3-morpholin-4-yl-1-(thiophen-2-ylmethyl)pyridin-2-one

C27H24ClN5O3S3 — CID 118960323

About 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-3-morpholin-4-yl-1-(thiophen-2-ylmethyl)pyridin-2-one

5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-3-morpholin-4-yl-1-(thiophen-2-ylmethyl)pyridin-2-one (PubChem CID 118960323) has the molecular formula C27H24ClN5O3S3 and a molecular weight of 598.18 g/mol. Its IUPAC name is 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-3-morpholin-4-yl-1-(thiophen-2-ylmethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-3-morpholin-4-yl-1-(thiophen-2-ylmethyl)pyridin-2-one
• PubChem CID: 118960323
• Molecular Formula: C27H24ClN5O3S3
• Molecular Weight: 598.18 g/mol
• Exact Mass: 597.07
• IUPAC Name: 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-3-morpholin-4-yl-1-(thiophen-2-ylmethyl)pyridin-2-one
• SMILES: O=C(c1cccs1)n1nc(-c2cc(N3CCOCC3)c(=O)n(Cc3cccs3)c2)cc1NCc1ccc(Cl)s1
• InChI: InChI=1S/C27H24ClN5O3S3/c28-24-6-5-19(39-24)15-29-25-14-21(30-33(25)27(35)23-4-2-12-38-23)18-13-22(31-7-9-36-10-8-31)26(34)32(16-18)17-20-3-1-11-37-20/h1-6,11-14,16,29H,7-10,15,17H2
• InChIKey: TVBXPMSTIFTYDX-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 81.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	598.18
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-3-morpholin-4-yl-1-(thiophen-2-ylmethyl)pyridin-2-one?

The IUPAC name of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-3-morpholin-4-yl-1-(thiophen-2-ylmethyl)pyridin-2-one (CID 118960323) is 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-3-morpholin-4-yl-1-(thiophen-2-ylmethyl)pyridin-2-one.

What is the SMILES notation for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-3-morpholin-4-yl-1-(thiophen-2-ylmethyl)pyridin-2-one?

The canonical SMILES for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-3-morpholin-4-yl-1-(thiophen-2-ylmethyl)pyridin-2-one is O=C(c1cccs1)n1nc(-c2cc(N3CCOCC3)c(=O)n(Cc3cccs3)c2)cc1NCc1ccc(Cl)s1.

What is the InChIKey of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-3-morpholin-4-yl-1-(thiophen-2-ylmethyl)pyridin-2-one?

The InChIKey is TVBXPMSTIFTYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN5O3S3/c28-24-6-5-19(39-24)15-29-25-14-21(30-33(25)27(35)23-4-2-12-38-23)18-13-22(31-7-9-36-10-8-31)26(34)32(16-18)17-20-3-1-11-37-20/h1-6,11-14,16,29H,7-10,15,17H2.

What are the key properties of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-3-morpholin-4-yl-1-(thiophen-2-ylmethyl)pyridin-2-one?

5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-3-morpholin-4-yl-1-(thiophen-2-ylmethyl)pyridin-2-one has a molecular weight of 598.18 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(thiophene-2-carbonyl)pyrazol-3-yl]-3-morpholin-4-yl-1-(thiophen-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 118960323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).