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-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]quinazolin-4-amine

C48H40ClF6N9O3 — CID 163201704

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-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]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-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]quinazolin-4-amine (PubChem CID 163201704) has the molecular formula C48H40ClF6N9O3 and a molecular weight of 940.35 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-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]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-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]quinazolin-4-amine
• PubChem CID: 163201704
• Molecular Formula: C48H40ClF6N9O3
• Molecular Weight: 940.35 g/mol
• Exact Mass: 939.28
• 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-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]quinazolin-4-amine
• SMILES: CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)c1ccnc(Oc2ccc(Nc3ncnc4ccccc34)cc2)n1
• InChI: InChI=1S/C29H28ClF3N4O2.C19H12F3N5O/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;20-19(21,22)16-9-10-23-18(27-16)28-13-7-5-12(6-8-13)26-17-14-3-1-2-4-15(14)24-11-25-17/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-11H,(H,24,25,26)
• InChIKey: UNISPCODJHLOCU-UHFFFAOYSA-N
• XLogP: 11.74
• TPSA: 131.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	940.35
LogP ≤ 5	11.74
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-[4-[4-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]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-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]quinazolin-4-amine (CID 163201704) 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-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]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-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]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-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]quinazolin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)c1ccnc(Oc2ccc(Nc3ncnc4ccccc34)cc2)n1.

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-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]quinazolin-4-amine?

The InChIKey is UNISPCODJHLOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C19H12F3N5O/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;20-19(21,22)16-9-10-23-18(27-16)28-13-7-5-12(6-8-13)26-17-14-3-1-2-4-15(14)24-11-25-17/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-11H,(H,24,25,26).

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-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]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-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]quinazolin-4-amine has a molecular weight of 940.35 g/mol, XLogP of 11.74, 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-(trifluoromethyl)pyrimidin-2-yl]oxyphenyl]quinazolin-4-amine is sourced from PubChem (CID 163201704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).