5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-6-morpholin-4-yl-1-(2-oxo-2-thiophen-3-ylethyl)pyridin-2-one

C30H25ClFN5O4S2 — CID 118959363

About 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-6-morpholin-4-yl-1-(2-oxo-2-thiophen-3-ylethyl)pyridin-2-one

5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-6-morpholin-4-yl-1-(2-oxo-2-thiophen-3-ylethyl)pyridin-2-one (PubChem CID 118959363) has the molecular formula C30H25ClFN5O4S2 and a molecular weight of 638.15 g/mol. Its IUPAC name is 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-6-morpholin-4-yl-1-(2-oxo-2-thiophen-3-ylethyl)pyridin-2-one.

Molecular Properties

• Compound Name: 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-6-morpholin-4-yl-1-(2-oxo-2-thiophen-3-ylethyl)pyridin-2-one
• PubChem CID: 118959363
• Molecular Formula: C30H25ClFN5O4S2
• Molecular Weight: 638.15 g/mol
• Exact Mass: 637.10
• IUPAC Name: 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-6-morpholin-4-yl-1-(2-oxo-2-thiophen-3-ylethyl)pyridin-2-one
• SMILES: O=C(Cn1c(N2CCOCC2)c(-c2cc(NCc3ccc(Cl)s3)n(C(=O)c3ccccc3F)n2)ccc1=O)c1ccsc1
• InChI: InChI=1S/C30H25ClFN5O4S2/c31-26-7-5-20(43-26)16-33-27-15-24(34-37(27)30(40)21-3-1-2-4-23(21)32)22-6-8-28(39)36(17-25(38)19-9-14-42-18-19)29(22)35-10-12-41-13-11-35/h1-9,14-15,18,33H,10-13,16-17H2
• InChIKey: KTTUQOHOBAOJCT-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 98.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	638.15
LogP ≤ 5	5.65
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-(2-fluorobenzoyl)pyrazol-3-yl]-6-morpholin-4-yl-1-(2-oxo-2-thiophen-3-ylethyl)pyridin-2-one?

The IUPAC name of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-6-morpholin-4-yl-1-(2-oxo-2-thiophen-3-ylethyl)pyridin-2-one (CID 118959363) is 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-6-morpholin-4-yl-1-(2-oxo-2-thiophen-3-ylethyl)pyridin-2-one.

What is the SMILES notation for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-6-morpholin-4-yl-1-(2-oxo-2-thiophen-3-ylethyl)pyridin-2-one?

The canonical SMILES for 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-6-morpholin-4-yl-1-(2-oxo-2-thiophen-3-ylethyl)pyridin-2-one is O=C(Cn1c(N2CCOCC2)c(-c2cc(NCc3ccc(Cl)s3)n(C(=O)c3ccccc3F)n2)ccc1=O)c1ccsc1.

What is the InChIKey of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-6-morpholin-4-yl-1-(2-oxo-2-thiophen-3-ylethyl)pyridin-2-one?

The InChIKey is KTTUQOHOBAOJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25ClFN5O4S2/c31-26-7-5-20(43-26)16-33-27-15-24(34-37(27)30(40)21-3-1-2-4-23(21)32)22-6-8-28(39)36(17-25(38)19-9-14-42-18-19)29(22)35-10-12-41-13-11-35/h1-9,14-15,18,33H,10-13,16-17H2.

What are the key properties of 5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-6-morpholin-4-yl-1-(2-oxo-2-thiophen-3-ylethyl)pyridin-2-one?

5-[5-[(5-chlorothiophen-2-yl)methylamino]-1-(2-fluorobenzoyl)pyrazol-3-yl]-6-morpholin-4-yl-1-(2-oxo-2-thiophen-3-ylethyl)pyridin-2-one has a molecular weight of 638.15 g/mol, XLogP of 5.65, 9 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-(2-fluorobenzoyl)pyrazol-3-yl]-6-morpholin-4-yl-1-(2-oxo-2-thiophen-3-ylethyl)pyridin-2-one is sourced from PubChem (CID 118959363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).