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

C49H48ClF3N8O4 — CID 163202454

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

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;morpholin-4-yl-[4-[(quinazolin-4-ylamino)methyl]phenyl]methanone (PubChem CID 163202454) has the molecular formula C49H48ClF3N8O4 and a molecular weight of 905.42 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;morpholin-4-yl-[4-[(quinazolin-4-ylamino)methyl]phenyl]methanone.

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;morpholin-4-yl-[4-[(quinazolin-4-ylamino)methyl]phenyl]methanone
• PubChem CID: 163202454
• Molecular Formula: C49H48ClF3N8O4
• Molecular Weight: 905.42 g/mol
• Exact Mass: 904.34
• IUPAC Name: 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;morpholin-4-yl-[4-[(quinazolin-4-ylamino)methyl]phenyl]methanone
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.O=C(c1ccc(CNc2ncnc3ccccc23)cc1)N1CCOCC1
• InChI: InChI=1S/C29H28ClF3N4O2.C20H20N4O2/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;25-20(24-9-11-26-12-10-24)16-7-5-15(6-8-16)13-21-19-17-3-1-2-4-18(17)22-14-23-19/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-8,14H,9-13H2,(H,21,22,23)
• InChIKey: MSVOMLVURBAVIX-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 126.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.42
LogP ≤ 5	9.48
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;morpholin-4-yl-[4-[(quinazolin-4-ylamino)methyl]phenyl]methanone?

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;morpholin-4-yl-[4-[(quinazolin-4-ylamino)methyl]phenyl]methanone (CID 163202454) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;morpholin-4-yl-[4-[(quinazolin-4-ylamino)methyl]phenyl]methanone.

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;morpholin-4-yl-[4-[(quinazolin-4-ylamino)methyl]phenyl]methanone?

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;morpholin-4-yl-[4-[(quinazolin-4-ylamino)methyl]phenyl]methanone is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.O=C(c1ccc(CNc2ncnc3ccccc23)cc1)N1CCOCC1.

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;morpholin-4-yl-[4-[(quinazolin-4-ylamino)methyl]phenyl]methanone?

The InChIKey is MSVOMLVURBAVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C20H20N4O2/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;25-20(24-9-11-26-12-10-24)16-7-5-15(6-8-16)13-21-19-17-3-1-2-4-18(17)22-14-23-19/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-8,14H,9-13H2,(H,21,22,23).

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;morpholin-4-yl-[4-[(quinazolin-4-ylamino)methyl]phenyl]methanone?

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;morpholin-4-yl-[4-[(quinazolin-4-ylamino)methyl]phenyl]methanone has a molecular weight of 905.42 g/mol, XLogP of 9.48, 11 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;morpholin-4-yl-[4-[(quinazolin-4-ylamino)methyl]phenyl]methanone is sourced from PubChem (CID 163202454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).