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

C31H39FN6O2S2 — CID 78426434

About N-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)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-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 78426434) has the molecular formula C31H39FN6O2S2 and a molecular weight of 610.83 g/mol. Its IUPAC name is N-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)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-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• PubChem CID: 78426434
• Molecular Formula: C31H39FN6O2S2
• Molecular Weight: 610.83 g/mol
• Exact Mass: 610.26
• IUPAC Name: N-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• SMILES: CCc1nc2ccc(C3CCN(S(=O)(=O)CCCN4CCCC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C31H39FN6O2S2/c1-3-27-30(35(2)31-34-28(22-41-31)24-7-10-26(32)11-8-24)38-21-25(9-12-29(38)33-27)23-13-18-37(19-14-23)42(39,40)20-6-17-36-15-4-5-16-36/h7-12,21-23H,3-6,13-20H2,1-2H3
• InChIKey: APOGWCCAYMERJB-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 74.05 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.83
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)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-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 78426434) is N-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)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-(3-pyrrolidin-1-ylpropylsulfonyl)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-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(C3CCN(S(=O)(=O)CCCN4CCCC4)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

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

The InChIKey is APOGWCCAYMERJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39FN6O2S2/c1-3-27-30(35(2)31-34-28(22-41-31)24-7-10-26(32)11-8-24)38-21-25(9-12-29(38)33-27)23-13-18-37(19-14-23)42(39,40)20-6-17-36-15-4-5-16-36/h7-12,21-23H,3-6,13-20H2,1-2H3.

What are the key properties of N-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)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-(3-pyrrolidin-1-ylpropylsulfonyl)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 610.83 g/mol, XLogP of 5.92, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-ethyl-6-[1-(3-pyrrolidin-1-ylpropylsulfonyl)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 78426434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).