6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]quinazolin-4-amine

C53H49ClF6N10O2 — CID 163202139

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-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]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-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]quinazolin-4-amine (PubChem CID 163202139) has the molecular formula C53H49ClF6N10O2 and a molecular weight of 1007.48 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-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]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-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]quinazolin-4-amine
• PubChem CID: 163202139
• Molecular Formula: C53H49ClF6N10O2
• Molecular Weight: 1007.48 g/mol
• Exact Mass: 1006.36
• 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-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]quinazolin-4-amine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)c1ccc(N2CCN(c3ccc(Nc4ncnc5ccccc45)cc3)CC2)nc1
• InChI: InChI=1S/C29H28ClF3N4O2.C24H21F3N6/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;25-24(26,27)17-5-10-22(28-15-17)33-13-11-32(12-14-33)19-8-6-18(7-9-19)31-23-20-3-1-2-4-21(20)29-16-30-23/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-10,15-16H,11-14H2,(H,29,30,31)
• InChIKey: CGJDGOBKYDALBD-UHFFFAOYSA-N
• XLogP: 11.88
• TPSA: 116.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1007.48
LogP ≤ 5	11.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]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-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]quinazolin-4-amine (CID 163202139) 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-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]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-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]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-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]quinazolin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)c1ccc(N2CCN(c3ccc(Nc4ncnc5ccccc45)cc3)CC2)nc1.

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-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]quinazolin-4-amine?

The InChIKey is CGJDGOBKYDALBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C24H21F3N6/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;25-24(26,27)17-5-10-22(28-15-17)33-13-11-32(12-14-33)19-8-6-18(7-9-19)31-23-20-3-1-2-4-21(20)29-16-30-23/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-10,15-16H,11-14H2,(H,29,30,31).

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-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]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-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]quinazolin-4-amine has a molecular weight of 1007.48 g/mol, XLogP of 11.88, 11 rotatable bonds, 2 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;N-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]quinazolin-4-amine is sourced from PubChem (CID 163202139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).