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

C29H34FN7S — CID 144700773

About N-[2-ethyl-6-[4-(1-pyrrolidin-2-ylethenyl)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-pyrrolidin-2-ylethenyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 144700773) has the molecular formula C29H34FN7S and a molecular weight of 531.71 g/mol. Its IUPAC name is N-[2-ethyl-6-[4-(1-pyrrolidin-2-ylethenyl)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-pyrrolidin-2-ylethenyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• PubChem CID: 144700773
• Molecular Formula: C29H34FN7S
• Molecular Weight: 531.71 g/mol
• Exact Mass: 531.26
• IUPAC Name: N-[2-ethyl-6-[4-(1-pyrrolidin-2-ylethenyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• SMILES: C=C(C1CCCN1)N1CCN(c2ccc3nc(CC)c(N(C)c4nc(-c5ccc(F)cc5)cs4)n3c2)CC1
• InChI: InChI=1S/C29H34FN7S/c1-4-24-28(34(3)29-33-26(19-38-29)21-7-9-22(30)10-8-21)37-18-23(11-12-27(37)32-24)36-16-14-35(15-17-36)20(2)25-6-5-13-31-25/h7-12,18-19,25,31H,2,4-6,13-17H2,1,3H3
• InChIKey: YLQQUTJKBRWGEI-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 51.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.71
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-[4-(1-pyrrolidin-2-ylethenyl)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-pyrrolidin-2-ylethenyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 144700773) is N-[2-ethyl-6-[4-(1-pyrrolidin-2-ylethenyl)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-pyrrolidin-2-ylethenyl)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-pyrrolidin-2-ylethenyl)piperazin-1-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is C=C(C1CCCN1)N1CCN(c2ccc3nc(CC)c(N(C)c4nc(-c5ccc(F)cc5)cs4)n3c2)CC1.

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

The InChIKey is YLQQUTJKBRWGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN7S/c1-4-24-28(34(3)29-33-26(19-38-29)21-7-9-22(30)10-8-21)37-18-23(11-12-27(37)32-24)36-16-14-35(15-17-36)20(2)25-6-5-13-31-25/h7-12,18-19,25,31H,2,4-6,13-17H2,1,3H3.

What are the key properties of N-[2-ethyl-6-[4-(1-pyrrolidin-2-ylethenyl)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-pyrrolidin-2-ylethenyl)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 531.71 g/mol, XLogP of 5.31, 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-(1-pyrrolidin-2-ylethenyl)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 144700773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).