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

C54H50ClF7N10O2 — CID 163201614

About 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]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-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]quinazolin-4-amine (PubChem CID 163201614) has the molecular formula C54H50ClF7N10O2 and a molecular weight of 1039.50 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-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]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-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]quinazolin-4-amine
• PubChem CID: 163201614
• Molecular Formula: C54H50ClF7N10O2
• Molecular Weight: 1039.50 g/mol
• Exact Mass: 1038.37
• 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-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]quinazolin-4-amine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Fc1cc(CNc2ncnc3ccccc23)ccc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1
• InChI: InChI=1S/C29H28ClF3N4O2.C25H22F4N6/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;26-20-13-17(14-31-24-19-3-1-2-4-21(19)32-16-33-24)5-7-22(20)34-9-11-35(12-10-34)23-8-6-18(15-30-23)25(27,28)29/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-8,13,15-16H,9-12,14H2,(H,31,32,33)
• InChIKey: BIVRGZRCHGIGMA-UHFFFAOYSA-N
• XLogP: 11.88
• TPSA: 116.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1039.50
LogP ≤ 5	11.88
H-Bond Donors ≤ 5	2
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;N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]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-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]quinazolin-4-amine (CID 163201614) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]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-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]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-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]quinazolin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Fc1cc(CNc2ncnc3ccccc23)ccc1N1CCN(c2ccc(C(F)(F)F)cn2)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-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]quinazolin-4-amine?

The InChIKey is BIVRGZRCHGIGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C25H22F4N6/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;26-20-13-17(14-31-24-19-3-1-2-4-21(19)32-16-33-24)5-7-22(20)34-9-11-35(12-10-34)23-8-6-18(15-30-23)25(27,28)29/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-8,13,15-16H,9-12,14H2,(H,31,32,33).

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-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]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-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]quinazolin-4-amine has a molecular weight of 1039.50 g/mol, XLogP of 11.88, 12 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-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]phenyl]methyl]quinazolin-4-amine is sourced from PubChem (CID 163201614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).