N-[2-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C27H29FN8S — CID 78427642

About N-[2-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-[2-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 78427642) has the molecular formula C27H29FN8S and a molecular weight of 516.65 g/mol. Its IUPAC name is N-[2-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-[2-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• PubChem CID: 78427642
• Molecular Formula: C27H29FN8S
• Molecular Weight: 516.65 g/mol
• Exact Mass: 516.22
• IUPAC Name: N-[2-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• SMILES: CCc1nc2ccc(N3CCN(Cc4ncc[nH]4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C27H29FN8S/c1-3-22-26(33(2)27-32-23(18-37-27)19-4-6-20(28)7-5-19)36-16-21(8-9-25(36)31-22)35-14-12-34(13-15-35)17-24-29-10-11-30-24/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,29,30)
• InChIKey: CHOUEDZBDITYKT-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 68.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.65
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The IUPAC name of N-[2-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 78427642) is N-[2-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

What is the SMILES notation for N-[2-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The canonical SMILES for N-[2-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(N3CCN(Cc4ncc[nH]4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of N-[2-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The InChIKey is CHOUEDZBDITYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN8S/c1-3-22-26(33(2)27-32-23(18-37-27)19-4-6-20(28)7-5-19)36-16-21(8-9-25(36)31-22)35-14-12-34(13-15-35)17-24-29-10-11-30-24/h4-11,16,18H,3,12-15,17H2,1-2H3,(H,29,30).

What are the key properties of N-[2-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

N-[2-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 516.65 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-ethyl-6-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 78427642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).