5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide

C25H18ClN5O3S — CID 24760753

About 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 24760753) has the molecular formula C25H18ClN5O3S and a molecular weight of 503.97 g/mol. Its IUPAC name is 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 24760753
• Molecular Formula: C25H18ClN5O3S
• Molecular Weight: 503.97 g/mol
• Exact Mass: 503.08
• IUPAC Name: 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
• SMILES: O=C(NCc1cn(-c2ccc(-n3ccccc3=O)cc2-c2ccc(=O)[nH]c2)cn1)c1ccc(Cl)s1
• InChI: InChI=1S/C25H18ClN5O3S/c26-22-8-7-21(35-22)25(34)28-13-17-14-30(15-29-17)20-6-5-18(31-10-2-1-3-24(31)33)11-19(20)16-4-9-23(32)27-12-16/h1-12,14-15H,13H2,(H,27,32)(H,28,34)
• InChIKey: WVXILPCFOCJKLN-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 101.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.97
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?

The IUPAC name of 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (CID 24760753) is 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?

The canonical SMILES for 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is O=C(NCc1cn(-c2ccc(-n3ccccc3=O)cc2-c2ccc(=O)[nH]c2)cn1)c1ccc(Cl)s1.

What is the InChIKey of 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?

The InChIKey is WVXILPCFOCJKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN5O3S/c26-22-8-7-21(35-22)25(34)28-13-17-14-30(15-29-17)20-6-5-18(31-10-2-1-3-24(31)33)11-19(20)16-4-9-23(32)27-12-16/h1-12,14-15H,13H2,(H,27,32)(H,28,34).

What are the key properties of 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide?

5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 503.97 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)-2-(6-oxo-1H-pyridin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 24760753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).