6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

C47H46ClF3N8O3 — CID 163202180

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-morpholin-4-ylphenyl)quinazolin-4-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-morpholin-4-ylphenyl)quinazolin-4-amine (PubChem CID 163202180) has the molecular formula C47H46ClF3N8O3 and a molecular weight of 863.38 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-morpholin-4-ylphenyl)quinazolin-4-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-morpholin-4-ylphenyl)quinazolin-4-amine
• PubChem CID: 163202180
• Molecular Formula: C47H46ClF3N8O3
• Molecular Weight: 863.38 g/mol
• Exact Mass: 862.33
• 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-morpholin-4-ylphenyl)quinazolin-4-amine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.c1ccc2c(Nc3ccc(N4CCOCC4)cc3)ncnc2c1
• InChI: InChI=1S/C29H28ClF3N4O2.C18H18N4O/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;1-2-4-17-16(3-1)18(20-13-19-17)21-14-5-7-15(8-6-14)22-9-11-23-12-10-22/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-8,13H,9-12H2,(H,19,20,21)
• InChIKey: CQYQJJAUIYIASO-UHFFFAOYSA-N
• XLogP: 9.97
• TPSA: 109.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	863.38
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-morpholin-4-ylphenyl)quinazolin-4-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-morpholin-4-ylphenyl)quinazolin-4-amine (CID 163202180) 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-morpholin-4-ylphenyl)quinazolin-4-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-morpholin-4-ylphenyl)quinazolin-4-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-morpholin-4-ylphenyl)quinazolin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.c1ccc2c(Nc3ccc(N4CCOCC4)cc3)ncnc2c1.

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-morpholin-4-ylphenyl)quinazolin-4-amine?

The InChIKey is CQYQJJAUIYIASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C18H18N4O/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;1-2-4-17-16(3-1)18(20-13-19-17)21-14-5-7-15(8-6-14)22-9-11-23-12-10-22/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-8,13H,9-12H2,(H,19,20,21).

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-morpholin-4-ylphenyl)quinazolin-4-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-morpholin-4-ylphenyl)quinazolin-4-amine has a molecular weight of 863.38 g/mol, XLogP of 9.97, 10 rotatable bonds, 2 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-morpholin-4-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 163202180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).