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

C47H45ClF4N8O3 — CID 163201628

About 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(3-fluoro-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-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine (PubChem CID 163201628) has the molecular formula C47H45ClF4N8O3 and a molecular weight of 881.37 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-(3-fluoro-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-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine
• PubChem CID: 163201628
• Molecular Formula: C47H45ClF4N8O3
• Molecular Weight: 881.37 g/mol
• Exact Mass: 880.32
• 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-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Fc1cc(Nc2ncnc3ccccc23)ccc1N1CCOCC1
• InChI: InChI=1S/C29H28ClF3N4O2.C18H17FN4O/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;19-15-11-13(5-6-17(15)23-7-9-24-10-8-23)22-18-14-3-1-2-4-16(14)20-12-21-18/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-6,11-12H,7-10H2,(H,20,21,22)
• InChIKey: ZJIFMLLQUMIODW-UHFFFAOYSA-N
• XLogP: 10.11
• TPSA: 109.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.37
LogP ≤ 5	10.11
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-(3-fluoro-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-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine (CID 163201628) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(3-fluoro-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-(3-fluoro-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-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Fc1cc(Nc2ncnc3ccccc23)ccc1N1CCOCC1.

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-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine?

The InChIKey is ZJIFMLLQUMIODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C18H17FN4O/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;19-15-11-13(5-6-17(15)23-7-9-24-10-8-23)22-18-14-3-1-2-4-16(14)20-12-21-18/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-6,11-12H,7-10H2,(H,20,21,22).

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-(3-fluoro-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-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine has a molecular weight of 881.37 g/mol, XLogP of 10.11, 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-(3-fluoro-4-morpholin-4-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 163201628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).