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

C46H46ClF3N8O2 — CID 163201678

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-(dimethylamino)phenyl]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-[[4-(dimethylamino)phenyl]methyl]quinazolin-4-amine (PubChem CID 163201678) has the molecular formula C46H46ClF3N8O2 and a molecular weight of 835.38 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-(dimethylamino)phenyl]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-[[4-(dimethylamino)phenyl]methyl]quinazolin-4-amine
• PubChem CID: 163201678
• Molecular Formula: C46H46ClF3N8O2
• Molecular Weight: 835.38 g/mol
• Exact Mass: 834.34
• IUPAC Name: 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[[4-(dimethylamino)phenyl]methyl]quinazolin-4-amine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.CN(C)c1ccc(CNc2ncnc3ccccc23)cc1
• InChI: InChI=1S/C29H28ClF3N4O2.C17H18N4/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;1-21(2)14-9-7-13(8-10-14)11-18-17-15-5-3-4-6-16(15)19-12-20-17/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);3-10,12H,11H2,1-2H3,(H,18,19,20)
• InChIKey: JUJCGKJDRTUPDE-UHFFFAOYSA-N
• XLogP: 10.07
• TPSA: 99.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.38
LogP ≤ 5	10.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

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-[[4-(dimethylamino)phenyl]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-[[4-(dimethylamino)phenyl]methyl]quinazolin-4-amine (CID 163201678) 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-(dimethylamino)phenyl]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-[[4-(dimethylamino)phenyl]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-[[4-(dimethylamino)phenyl]methyl]quinazolin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.CN(C)c1ccc(CNc2ncnc3ccccc23)cc1.

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-(dimethylamino)phenyl]methyl]quinazolin-4-amine?

The InChIKey is JUJCGKJDRTUPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C17H18N4/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;1-21(2)14-9-7-13(8-10-14)11-18-17-15-5-3-4-6-16(15)19-12-20-17/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);3-10,12H,11H2,1-2H3,(H,18,19,20).

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-(dimethylamino)phenyl]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-[[4-(dimethylamino)phenyl]methyl]quinazolin-4-amine has a molecular weight of 835.38 g/mol, XLogP of 10.07, 11 rotatable bonds, 2 hydrogen bond donors, and 9 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-(dimethylamino)phenyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 163201678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).