N-[2-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

C25H22N4O2S — CID 55885204

About N-[2-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide

N-[2-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 55885204) has the molecular formula C25H22N4O2S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[2-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
• PubChem CID: 55885204
• Molecular Formula: C25H22N4O2S
• Molecular Weight: 442.54 g/mol
• Exact Mass: 442.15
• IUPAC Name: N-[2-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
• SMILES: O=C(Nc1ccccc1C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cccs1
• InChI: InChI=1S/C25H22N4O2S/c30-24(19-6-1-2-7-20(19)28-25(31)22-8-5-15-32-22)26-18-12-10-17(11-13-18)21-16-29-14-4-3-9-23(29)27-21/h1-2,5-8,10-13,15-16H,3-4,9,14H2,(H,26,30)(H,28,31)
• InChIKey: GDDZAJANKAFGQE-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 76.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.54
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?

The IUPAC name of N-[2-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide (CID 55885204) is N-[2-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[2-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?

The canonical SMILES for N-[2-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cccs1.

What is the InChIKey of N-[2-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?

The InChIKey is GDDZAJANKAFGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2S/c30-24(19-6-1-2-7-20(19)28-25(31)22-8-5-15-32-22)26-18-12-10-17(11-13-18)21-16-29-14-4-3-9-23(29)27-21/h1-2,5-8,10-13,15-16H,3-4,9,14H2,(H,26,30)(H,28,31).

What are the key properties of N-[2-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide?

N-[2-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55885204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).