5-chloro-N-[[1-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide

C20H16ClN5O2S — CID 24986898

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

5-chloro-N-[[1-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (PubChem CID 24986898) has the molecular formula C20H16ClN5O2S and a molecular weight of 425.90 g/mol. Its IUPAC name is 5-chloro-N-[[1-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[[1-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
• PubChem CID: 24986898
• Molecular Formula: C20H16ClN5O2S
• Molecular Weight: 425.90 g/mol
• Exact Mass: 425.07
• IUPAC Name: 5-chloro-N-[[1-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide
• SMILES: Cn1nc(-c2ccc(-n3cnc(CNC(=O)c4ccc(Cl)s4)c3)cc2)ccc1=O
• InChI: InChI=1S/C20H16ClN5O2S/c1-25-19(27)9-6-16(24-25)13-2-4-15(5-3-13)26-11-14(23-12-26)10-22-20(28)17-7-8-18(21)29-17/h2-9,11-12H,10H2,1H3,(H,22,28)
• InChIKey: LXLCGGRDUVNIBC-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 81.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.90
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-chloro-N-[[1-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide (CID 24986898) is 5-chloro-N-[[1-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide.

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

The canonical SMILES for 5-chloro-N-[[1-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is Cn1nc(-c2ccc(-n3cnc(CNC(=O)c4ccc(Cl)s4)c3)cc2)ccc1=O.

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

The InChIKey is LXLCGGRDUVNIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2S/c1-25-19(27)9-6-16(24-25)13-2-4-15(5-3-13)26-11-14(23-12-26)10-22-20(28)17-7-8-18(21)29-17/h2-9,11-12H,10H2,1H3,(H,22,28).

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

5-chloro-N-[[1-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide has a molecular weight of 425.90 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[[1-[4-(1-methyl-6-oxopyridazin-3-yl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 24986898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).