3-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-2-yl]propanamide

C29H34FN7O2S — CID 78427131

About 3-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-2-yl]propanamide

3-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-2-yl]propanamide (PubChem CID 78427131) has the molecular formula C29H34FN7O2S and a molecular weight of 563.70 g/mol. Its IUPAC name is 3-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-2-yl]propanamide.

Molecular Properties

• Compound Name: 3-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-2-yl]propanamide
• PubChem CID: 78427131
• Molecular Formula: C29H34FN7O2S
• Molecular Weight: 563.70 g/mol
• Exact Mass: 563.25
• IUPAC Name: 3-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-2-yl]propanamide
• SMILES: CN(C)C(=O)CN1CCC(c2ccc3nc(CCC(N)=O)c(N(C)c4nc(-c5ccc(F)cc5)cs4)n3c2)CC1
• InChI: InChI=1S/C29H34FN7O2S/c1-34(2)27(39)17-36-14-12-19(13-15-36)21-6-11-26-32-23(9-10-25(31)38)28(37(26)16-21)35(3)29-33-24(18-40-29)20-4-7-22(30)8-5-20/h4-8,11,16,18-19H,9-10,12-15,17H2,1-3H3,(H2,31,38)
• InChIKey: AYFBFTHCFOHMDH-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 100.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.70
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-2-yl]propanamide?

The IUPAC name of 3-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-2-yl]propanamide (CID 78427131) is 3-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-2-yl]propanamide.

What is the SMILES notation for 3-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-2-yl]propanamide?

The canonical SMILES for 3-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-2-yl]propanamide is CN(C)C(=O)CN1CCC(c2ccc3nc(CCC(N)=O)c(N(C)c4nc(-c5ccc(F)cc5)cs4)n3c2)CC1.

What is the InChIKey of 3-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-2-yl]propanamide?

The InChIKey is AYFBFTHCFOHMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN7O2S/c1-34(2)27(39)17-36-14-12-19(13-15-36)21-6-11-26-32-23(9-10-25(31)38)28(37(26)16-21)35(3)29-33-24(18-40-29)20-4-7-22(30)8-5-20/h4-8,11,16,18-19H,9-10,12-15,17H2,1-3H3,(H2,31,38).

What are the key properties of 3-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-2-yl]propanamide?

3-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-2-yl]propanamide has a molecular weight of 563.70 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-2-yl]propanamide is sourced from PubChem (CID 78427131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).