6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]quinazolin-4-amine

C50H45ClF4N8O2S — CID 163201751

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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]quinazolin-4-amine (PubChem CID 163201751) has the molecular formula C50H45ClF4N8O2S and a molecular weight of 933.48 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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]quinazolin-4-amine
• PubChem CID: 163201751
• Molecular Formula: C50H45ClF4N8O2S
• Molecular Weight: 933.48 g/mol
• Exact Mass: 932.30
• 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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]quinazolin-4-amine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Fc1cc(Nc2ncnc3ccccc23)ccc1N1CCc2sccc2C1
• InChI: InChI=1S/C29H28ClF3N4O2.C21H17FN4S/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;22-17-11-15(25-21-16-3-1-2-4-18(16)23-13-24-21)5-6-19(17)26-9-7-20-14(12-26)8-10-27-20/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-6,8,10-11,13H,7,9,12H2,(H,23,24,25)
• InChIKey: GLLHXAWSXLAFLQ-UHFFFAOYSA-N
• XLogP: 11.90
• TPSA: 99.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.48
LogP ≤ 5	11.90
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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]quinazolin-4-amine (CID 163201751) 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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]quinazolin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Fc1cc(Nc2ncnc3ccccc23)ccc1N1CCc2sccc2C1.

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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]quinazolin-4-amine?

The InChIKey is GLLHXAWSXLAFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C21H17FN4S/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;22-17-11-15(25-21-16-3-1-2-4-18(16)23-13-24-21)5-6-19(17)26-9-7-20-14(12-26)8-10-27-20/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-6,8,10-11,13H,7,9,12H2,(H,23,24,25).

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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]quinazolin-4-amine has a molecular weight of 933.48 g/mol, XLogP of 11.90, 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-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-fluorophenyl]quinazolin-4-amine is sourced from PubChem (CID 163201751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).