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

C55H51ClF6N8O3 — CID 163201806

IUPAC6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]quinazolin-4-amine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)c1ccc(N2CCC(Oc3ccc(Nc4ncnc5ccccc45)cc3)CC2)cc1
InChIInChI=1S/C29H28ClF3N4O2.C26H23F3N4O/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;27-26(28,29)18-5-9-20(10-6-18)33-15-13-22(14-16-33)34-21-11-7-19(8-12-21)32-25-23-3-1-2-4-24(23)30-17-31-25/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-12,17,22H,13-16H2,(H,30,31,32)
InChIKeyFALYGZRPBXYLBH-UHFFFAOYSA-N
MW1021.51 g/mol
LogP13.20
Rot. Bonds12

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-[1-[4-(trifluoromethyl)phenyl]piperidin-4-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-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]quinazolin-4-amine (PubChem CID 163201806) has the molecular formula C55H51ClF6N8O3 and a molecular weight of 1021.51 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-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]quinazolin-4-amine
PubChem CID163201806
Molecular FormulaC55H51ClF6N8O3
Molecular Weight1021.51 g/mol
Exact Mass1020.37
IUPAC Name6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]quinazolin-4-amine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)c1ccc(N2CCC(Oc3ccc(Nc4ncnc5ccccc45)cc3)CC2)cc1
InChIInChI=1S/C29H28ClF3N4O2.C26H23F3N4O/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;27-26(28,29)18-5-9-20(10-6-18)33-15-13-22(14-16-33)34-21-11-7-19(8-12-21)32-25-23-3-1-2-4-24(23)30-17-31-25/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-12,17,22H,13-16H2,(H,30,31,32)
InChIKeyFALYGZRPBXYLBH-UHFFFAOYSA-N
XLogP13.20
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.51
LogP ≤ 513.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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

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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-[1-[4-(trifluoromethyl)phenyl]piperidin-4-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-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]quinazolin-4-amine (CID 163201806) 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-[1-[4-(trifluoromethyl)phenyl]piperidin-4-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-[1-[4-(trifluoromethyl)phenyl]piperidin-4-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-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]quinazolin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.FC(F)(F)c1ccc(N2CCC(Oc3ccc(Nc4ncnc5ccccc45)cc3)CC2)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-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]quinazolin-4-amine?
The InChIKey is FALYGZRPBXYLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C26H23F3N4O/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;27-26(28,29)18-5-9-20(10-6-18)33-15-13-22(14-16-33)34-21-11-7-19(8-12-21)32-25-23-3-1-2-4-24(23)30-17-31-25/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-12,17,22H,13-16H2,(H,30,31,32).
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-[1-[4-(trifluoromethyl)phenyl]piperidin-4-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-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]quinazolin-4-amine has a molecular weight of 1021.51 g/mol, XLogP of 13.20, 12 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;N-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]quinazolin-4-amine is sourced from PubChem (CID 163201806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).