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-(4-fluorophenyl)piperazin-1-yl]phenyl]quinazolin-4-amine

C53H50ClF4N9O2 — CID 163201722

IUPAC6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]quinazolin-4-amine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Fc1ccc(N2CCN(c3ccc(Nc4ncnc5ccccc45)cc3)CC2)cc1
InChIInChI=1S/C29H28ClF3N4O2.C24H22FN5/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;25-18-5-9-20(10-6-18)29-13-15-30(16-14-29)21-11-7-19(8-12-21)28-24-22-3-1-2-4-23(22)26-17-27-24/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-12,17H,13-16H2,(H,26,27,28)
InChIKeyCNOPOFXAZXVHFE-UHFFFAOYSA-N
MW956.49 g/mol
LogP11.60
Rot. Bonds11

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-(4-fluorophenyl)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-(4-fluorophenyl)piperazin-1-yl]phenyl]quinazolin-4-amine (PubChem CID 163201722) has the molecular formula C53H50ClF4N9O2 and a molecular weight of 956.49 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-(4-fluorophenyl)piperazin-1-yl]phenyl]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-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]quinazolin-4-amine
PubChem CID163201722
Molecular FormulaC53H50ClF4N9O2
Molecular Weight956.49 g/mol
Exact Mass955.37
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-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]quinazolin-4-amine
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Fc1ccc(N2CCN(c3ccc(Nc4ncnc5ccccc45)cc3)CC2)cc1
InChIInChI=1S/C29H28ClF3N4O2.C24H22FN5/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;25-18-5-9-20(10-6-18)29-13-15-30(16-14-29)21-11-7-19(8-12-21)28-24-22-3-1-2-4-23(22)26-17-27-24/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-12,17H,13-16H2,(H,26,27,28)
InChIKeyCNOPOFXAZXVHFE-UHFFFAOYSA-N
XLogP11.60
TPSA103.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.49
LogP ≤ 511.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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'}

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-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]quinazolin-4-amine with MolForge

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Related Compounds

Telacebec
CID 68234908
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68235029
6-chloro-2-ethyl-N-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53466897
7-Chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidinyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234870
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethyl)phenoxy]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009976
6-chloro-2-ethyl-N-[[4-[3-[4-(trifluoromethoxy)phenyl]-3,9-diazaspiro[5.5]undecan-9-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 141747062
2-Amino-1-[4-[8-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone
CID 117876593
2-Amino-1-[4-[8-[2-chloro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]piperidin-1-yl]ethanone
CID 117876630
4-[8-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 117876718
2,6-dimethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 117859225
6-chloro-2-methyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442371
6-chloro-2-ethyl-N-[[2-[2-[4-(trifluoromethoxy)phenyl]-6-azaspiro[3.3]heptan-6-yl]-6-quinolyl]methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 124170966

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-(4-fluorophenyl)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-(4-fluorophenyl)piperazin-1-yl]phenyl]quinazolin-4-amine (CID 163201722) 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-(4-fluorophenyl)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-(4-fluorophenyl)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-(4-fluorophenyl)piperazin-1-yl]phenyl]quinazolin-4-amine is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1.Fc1ccc(N2CCN(c3ccc(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-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]quinazolin-4-amine?
The InChIKey is CNOPOFXAZXVHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O2.C24H22FN5/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;25-18-5-9-20(10-6-18)29-13-15-30(16-14-29)21-11-7-19(8-12-21)28-24-22-3-1-2-4-23(22)26-17-27-24/h3-12,18,21H,2,13-17H2,1H3,(H,34,38);1-12,17H,13-16H2,(H,26,27,28).
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-(4-fluorophenyl)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-(4-fluorophenyl)piperazin-1-yl]phenyl]quinazolin-4-amine has a molecular weight of 956.49 g/mol, XLogP of 11.60, 11 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-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]quinazolin-4-amine is sourced from PubChem (CID 163201722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).