N-[2-ethyl-6-[1-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C32H39FN6S — CID 155112605

About N-[2-ethyl-6-[1-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

N-[2-ethyl-6-[1-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 155112605) has the molecular formula C32H39FN6S and a molecular weight of 558.77 g/mol. Its IUPAC name is N-[2-ethyl-6-[1-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]piperidin-4-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-[1-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• PubChem CID: 155112605
• Molecular Formula: C32H39FN6S
• Molecular Weight: 558.77 g/mol
• Exact Mass: 558.29
• IUPAC Name: N-[2-ethyl-6-[1-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• SMILES: C=C(CN1CCC(c2ccc3nc(CC)c(N(C)c4nc(-c5ccc(F)cc5)cs4)n3c2)CC1)N1CCC(C)C1
• InChI: InChI=1S/C32H39FN6S/c1-5-28-31(36(4)32-35-29(21-40-32)25-6-9-27(33)10-7-25)39-20-26(8-11-30(39)34-28)24-13-15-37(16-14-24)19-23(3)38-17-12-22(2)18-38/h6-11,20-22,24H,3,5,12-19H2,1-2,4H3
• InChIKey: TWRFEXUDPWWJOM-UHFFFAOYSA-N
• XLogP: 6.96
• TPSA: 39.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.77
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-[1-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]piperidin-4-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-[1-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 155112605) is N-[2-ethyl-6-[1-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]piperidin-4-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-[1-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]piperidin-4-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-[1-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is C=C(CN1CCC(c2ccc3nc(CC)c(N(C)c4nc(-c5ccc(F)cc5)cs4)n3c2)CC1)N1CCC(C)C1.

What is the InChIKey of N-[2-ethyl-6-[1-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The InChIKey is TWRFEXUDPWWJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN6S/c1-5-28-31(36(4)32-35-29(21-40-32)25-6-9-27(33)10-7-25)39-20-26(8-11-30(39)34-28)24-13-15-37(16-14-24)19-23(3)38-17-12-22(2)18-38/h6-11,20-22,24H,3,5,12-19H2,1-2,4H3.

What are the key properties of N-[2-ethyl-6-[1-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

N-[2-ethyl-6-[1-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 558.77 g/mol, XLogP of 6.96, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-ethyl-6-[1-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 155112605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).