6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-N-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]quinazolin-4-amine

C55H50ClF7N8O3 — CID 163202141

IUPAC6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-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.Fc1ccc2c(Nc3ccc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)ncnc2c1
InChIInChI=1S/C29H28ClF3N4O2.C26H22F4N4O/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;27-18-3-10-23-24(15-18)31-16-32-25(23)33-19-4-8-21(9-5-19)35-22-11-13-34(14-12-22)20-6-1-17(2-7-20)26(28,29)30/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-10,15-16,22H,11-14H2,(H,31,32,33)
InChIKeyWQFHSQMJWYDURK-UHFFFAOYSA-N
MW1039.50 g/mol
LogP13.34
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;7-fluoro-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;7-fluoro-N-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]quinazolin-4-amine (PubChem CID 163202141) has the molecular formula C55H50ClF7N8O3 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;7-fluoro-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;7-fluoro-N-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]quinazolin-4-amine
PubChem CID163202141
Molecular FormulaC55H50ClF7N8O3
Molecular Weight1039.50 g/mol
Exact Mass1038.36
IUPAC Name6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-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.Fc1ccc2c(Nc3ccc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)ncnc2c1
InChIInChI=1S/C29H28ClF3N4O2.C26H22F4N4O/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;27-18-3-10-23-24(15-18)31-16-32-25(23)33-19-4-8-21(9-5-19)35-22-11-13-34(14-12-22)20-6-1-17(2-7-20)26(28,29)30/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-10,15-16,22H,11-14H2,(H,31,32,33)
InChIKeyWQFHSQMJWYDURK-UHFFFAOYSA-N
XLogP13.34
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.50
LogP ≤ 513.34
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;7-fluoro-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;7-fluoro-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;7-fluoro-N-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]quinazolin-4-amine (CID 163202141) is 6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-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;7-fluoro-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;7-fluoro-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.Fc1ccc2c(Nc3ccc(OC4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)ncnc2c1.
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;7-fluoro-N-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]quinazolin-4-amine?
The InChIKey is WQFHSQMJWYDURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C26H22F4N4O/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;27-18-3-10-23-24(15-18)31-16-32-25(23)33-19-4-8-21(9-5-19)35-22-11-13-34(14-12-22)20-6-1-17(2-7-20)26(28,29)30/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-10,15-16,22H,11-14H2,(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;7-fluoro-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;7-fluoro-N-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]quinazolin-4-amine has a molecular weight of 1039.50 g/mol, XLogP of 13.34, 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;7-fluoro-N-[4-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxyphenyl]quinazolin-4-amine is sourced from PubChem (CID 163202141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).