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

C49H51ClF3N9O3 — CID 163201761

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

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;1-N-(2-morpholin-4-ylethyl)-4-N-quinazolin-4-ylbenzene-1,4-diamine (PubChem CID 163201761) has the molecular formula C49H51ClF3N9O3 and a molecular weight of 906.45 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;1-N-(2-morpholin-4-ylethyl)-4-N-quinazolin-4-ylbenzene-1,4-diamine.

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;1-N-(2-morpholin-4-ylethyl)-4-N-quinazolin-4-ylbenzene-1,4-diamine
• PubChem CID: 163201761
• Molecular Formula: C49H51ClF3N9O3
• Molecular Weight: 906.45 g/mol
• Exact Mass: 905.38
• IUPAC Name: 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;1-N-(2-morpholin-4-ylethyl)-4-N-quinazolin-4-ylbenzene-1,4-diamine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.c1ccc2c(Nc3ccc(NCCN4CCOCC4)cc3)ncnc2c1
• InChI: InChI=1S/C29H28ClF3N4O2.C20H23N5O/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;1-2-4-19-18(3-1)20(23-15-22-19)24-17-7-5-16(6-8-17)21-9-10-25-11-13-26-14-12-25/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-8,15,21H,9-14H2,(H,22,23,24)
• InChIKey: ITGAAEJCUXCOKR-UHFFFAOYSA-N
• XLogP: 9.88
• TPSA: 121.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	906.45
LogP ≤ 5	9.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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;1-N-(2-morpholin-4-ylethyl)-4-N-quinazolin-4-ylbenzene-1,4-diamine?

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;1-N-(2-morpholin-4-ylethyl)-4-N-quinazolin-4-ylbenzene-1,4-diamine (CID 163201761) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;1-N-(2-morpholin-4-ylethyl)-4-N-quinazolin-4-ylbenzene-1,4-diamine.

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;1-N-(2-morpholin-4-ylethyl)-4-N-quinazolin-4-ylbenzene-1,4-diamine?

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;1-N-(2-morpholin-4-ylethyl)-4-N-quinazolin-4-ylbenzene-1,4-diamine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.c1ccc2c(Nc3ccc(NCCN4CCOCC4)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;1-N-(2-morpholin-4-ylethyl)-4-N-quinazolin-4-ylbenzene-1,4-diamine?

The InChIKey is ITGAAEJCUXCOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C20H23N5O/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;1-2-4-19-18(3-1)20(23-15-22-19)24-17-7-5-16(6-8-17)21-9-10-25-11-13-26-14-12-25/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-8,15,21H,9-14H2,(H,22,23,24).

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;1-N-(2-morpholin-4-ylethyl)-4-N-quinazolin-4-ylbenzene-1,4-diamine?

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;1-N-(2-morpholin-4-ylethyl)-4-N-quinazolin-4-ylbenzene-1,4-diamine has a molecular weight of 906.45 g/mol, XLogP of 9.88, 13 rotatable bonds, 3 hydrogen bond donors, and 11 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;1-N-(2-morpholin-4-ylethyl)-4-N-quinazolin-4-ylbenzene-1,4-diamine is sourced from PubChem (CID 163201761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).