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

C27H28FN7OS — CID 78428034

About N-[2-ethyl-6-[4-(1,3-oxazol-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-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 78428034) has the molecular formula C27H28FN7OS and a molecular weight of 517.63 g/mol. Its IUPAC name is N-[2-ethyl-6-[4-(1,3-oxazol-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-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• PubChem CID: 78428034
• Molecular Formula: C27H28FN7OS
• Molecular Weight: 517.63 g/mol
• Exact Mass: 517.21
• IUPAC Name: N-[2-ethyl-6-[4-(1,3-oxazol-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(Cc4ncco4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C27H28FN7OS/c1-3-22-26(32(2)27-31-23(18-37-27)19-4-6-20(28)7-5-19)35-16-21(8-9-24(35)30-22)34-13-11-33(12-14-34)17-25-29-10-15-36-25/h4-10,15-16,18H,3,11-14,17H2,1-2H3
• InChIKey: WFHKGFAJHREMJW-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 65.94 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.63
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-[4-(1,3-oxazol-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-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 78428034) is N-[2-ethyl-6-[4-(1,3-oxazol-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-(1,3-oxazol-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-(1,3-oxazol-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(Cc4ncco4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of N-[2-ethyl-6-[4-(1,3-oxazol-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 WFHKGFAJHREMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN7OS/c1-3-22-26(32(2)27-31-23(18-37-27)19-4-6-20(28)7-5-19)35-16-21(8-9-24(35)30-22)34-13-11-33(12-14-34)17-25-29-10-15-36-25/h4-10,15-16,18H,3,11-14,17H2,1-2H3.

What are the key properties of N-[2-ethyl-6-[4-(1,3-oxazol-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-(1,3-oxazol-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 517.63 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-ethyl-6-[4-(1,3-oxazol-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 78428034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).