N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

C24H21N5O2S — CID 43967472

About N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 43967472) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 43967472
• Molecular Formula: C24H21N5O2S
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.14
• IUPAC Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3c(C)nc4ccccn34)nc12
• InChI: InChI=1S/C24H21N5O2S/c1-3-31-18-9-6-10-19-21(18)27-24(32-19)29(15-17-8-7-12-25-14-17)23(30)22-16(2)26-20-11-4-5-13-28(20)22/h4-14H,3,15H2,1-2H3
• InChIKey: FXNNIPYACKUJFT-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 72.62 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.53
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 43967472) is N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3c(C)nc4ccccn34)nc12.

What is the InChIKey of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is FXNNIPYACKUJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-3-31-18-9-6-10-19-21(18)27-24(32-19)29(15-17-8-7-12-25-14-17)23(30)22-16(2)26-20-11-4-5-13-28(20)22/h4-14H,3,15H2,1-2H3.

What are the key properties of N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide?

N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxy-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-3-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 43967472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).