6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C50H44ClF6N9O4 — CID 163202296

About 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 163202296) has the molecular formula C50H44ClF6N9O4 and a molecular weight of 984.40 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 163202296
• Molecular Formula: C50H44ClF6N9O4
• Molecular Weight: 984.40 g/mol
• Exact Mass: 983.31
• IUPAC Name: 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Cc1ccn2c(C(=O)Nc3ccc(Oc4nccc(C(F)(F)F)n4)cc3)c(C)nc2c1
• InChI: InChI=1S/C29H28ClF3N4O2.C21H16F3N5O2/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33;1-12-8-10-29-17(11-12)26-13(2)18(29)19(30)27-14-3-5-15(6-4-14)31-20-25-9-7-16(28-20)21(22,23)24/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);3-11H,1-2H3,(H,27,30)
• InChIKey: OTNXKRHBXJSTNG-UHFFFAOYSA-N
• XLogP: 11.57
• TPSA: 140.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	984.40
LogP ≤ 5	11.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 163202296) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Cc1ccn2c(C(=O)Nc3ccc(Oc4nccc(C(F)(F)F)n4)cc3)c(C)nc2c1.

What is the InChIKey of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is OTNXKRHBXJSTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C21H16F3N5O2/c1-2-25-27(37-18-22(30)7-12-26(37)35-25)28(38)34-17-19-3-8-23(9-4-19)36-15-13-21(14-16-36)20-5-10-24(11-6-20)39-29(31,32)33;1-12-8-10-29-17(11-12)26-13(2)18(29)19(30)27-14-3-5-15(6-4-14)31-20-25-9-7-16(28-20)21(22,23)24/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);3-11H,1-2H3,(H,27,30).

What are the key properties of 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 984.40 g/mol, XLogP of 11.57, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;2,7-dimethyl-N-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 163202296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).