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

C50H43ClF6N8O3 — CID 163202262

About 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]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-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]quinazolin-4-amine (PubChem CID 163202262) has the molecular formula C50H43ClF6N8O3 and a molecular weight of 953.39 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-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]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-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]quinazolin-4-amine
• PubChem CID: 163202262
• Molecular Formula: C50H43ClF6N8O3
• Molecular Weight: 953.39 g/mol
• Exact Mass: 952.31
• IUPAC Name: 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]quinazolin-4-amine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)c1cccc(Oc2ccc(CNc3ncnc4ccccc34)cn2)c1
• InChI: InChI=1S/C29H28ClF3N4O2.C21H15F3N4O/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;22-21(23,24)15-4-3-5-16(10-15)29-19-9-8-14(11-25-19)12-26-20-17-6-1-2-7-18(17)27-13-28-20/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-11,13H,12H2,(H,26,27,28)
• InChIKey: NHWHORWJVWQUMH-UHFFFAOYSA-N
• XLogP: 12.21
• TPSA: 118.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.39
LogP ≤ 5	12.21
H-Bond Donors ≤ 5	2
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-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]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-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]quinazolin-4-amine (CID 163202262) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]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-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]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-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]quinazolin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)c1cccc(Oc2ccc(CNc3ncnc4ccccc34)cn2)c1.

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-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]quinazolin-4-amine?

The InChIKey is NHWHORWJVWQUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C21H15F3N4O/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;22-21(23,24)15-4-3-5-16(10-15)29-19-9-8-14(11-25-19)12-26-20-17-6-1-2-7-18(17)27-13-28-20/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-11,13H,12H2,(H,26,27,28).

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-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]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-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]quinazolin-4-amine has a molecular weight of 953.39 g/mol, XLogP of 12.21, 12 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-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 163202262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).