6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-7H-purin-6-amine

C47H40ClF6N9O3 — CID 163202022

About 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-7H-purin-6-amine

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-7H-purin-6-amine (PubChem CID 163202022) has the molecular formula C47H40ClF6N9O3 and a molecular weight of 928.34 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;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-7H-purin-6-amine.

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;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-7H-purin-6-amine
• PubChem CID: 163202022
• Molecular Formula: C47H40ClF6N9O3
• Molecular Weight: 928.34 g/mol
• Exact Mass: 927.28
• IUPAC Name: 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-7H-purin-6-amine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)c1ccc(Oc2ccc(Nc3ncnc4nc[nH]c34)cc2)cc1
• InChI: InChI=1S/C29H28ClF3N4O2.C18H12F3N5O/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;19-18(20,21)11-1-5-13(6-2-11)27-14-7-3-12(4-8-14)26-17-15-16(23-9-22-15)24-10-25-17/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-10H,(H2,22,23,24,25,26)
• InChIKey: OSUFBJZMRPYIEL-UHFFFAOYSA-N
• XLogP: 11.67
• TPSA: 134.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	928.34
LogP ≤ 5	11.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-7H-purin-6-amine?

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;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-7H-purin-6-amine (CID 163202022) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-7H-purin-6-amine.

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;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-7H-purin-6-amine?

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;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-7H-purin-6-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)c1ccc(Oc2ccc(Nc3ncnc4nc[nH]c34)cc2)cc1.

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;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-7H-purin-6-amine?

The InChIKey is OSUFBJZMRPYIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C18H12F3N5O/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;19-18(20,21)11-1-5-13(6-2-11)27-14-7-3-12(4-8-14)26-17-15-16(23-9-22-15)24-10-25-17/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-10H,(H2,22,23,24,25,26).

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;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-7H-purin-6-amine?

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-7H-purin-6-amine has a molecular weight of 928.34 g/mol, XLogP of 11.67, 11 rotatable bonds, 3 hydrogen bond donors, and 10 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;N-[4-[4-(trifluoromethyl)phenoxy]phenyl]-7H-purin-6-amine is sourced from PubChem (CID 163202022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).