N-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen

C32H29F3N6O3 — CID 162216166

IUPACN-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(OCC(F)(F)F)c(-c4cnc5ccccc5c4)c2)n3C)ccn1.[H][H].[H][H]
InChIInChI=1S/C32H25F3N6O3.2H2/c1-36-30(42)27-16-23(11-12-37-27)44-22-8-9-28-26(15-22)40-31(41(28)2)39-21-7-10-29(43-18-32(33,34)35)24(14-21)20-13-19-5-3-4-6-25(19)38-17-20;;/h3-17H,18H2,1-2H3,(H,36,42)(H,39,40);2*1H
InChIKeyZTMLWOSUEDDYGB-UHFFFAOYSA-N
MW602.62 g/mol
LogP7.51
Rot. Bonds8

About N-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen

N-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen (PubChem CID 162216166) has the molecular formula C32H29F3N6O3 and a molecular weight of 602.62 g/mol. Its IUPAC name is N-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
PubChem CID162216166
Molecular FormulaC32H29F3N6O3
Molecular Weight602.62 g/mol
Exact Mass602.23
IUPAC NameN-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(OCC(F)(F)F)c(-c4cnc5ccccc5c4)c2)n3C)ccn1.[H][H].[H][H]
InChIInChI=1S/C32H25F3N6O3.2H2/c1-36-30(42)27-16-23(11-12-37-27)44-22-8-9-28-26(15-22)40-31(41(28)2)39-21-7-10-29(43-18-32(33,34)35)24(14-21)20-13-19-5-3-4-6-25(19)38-17-20;;/h3-17H,18H2,1-2H3,(H,36,42)(H,39,40);2*1H
InChIKeyZTMLWOSUEDDYGB-UHFFFAOYSA-N
XLogP7.51
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.62
LogP ≤ 57.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-4-[1-methyl-2-[3-thiophen-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 70921758
N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171
N-methyl-4-[1-methyl-2-[4-(methylamino)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041311
N-methyl-4-[1-methyl-2-[3-(trifluoromethylsulfanyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 158740821
4-[2-[4-(dimethylamino)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 21037270
4-[2-(4-chloro-3-thiophen-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide;molecular hydrogen
CID 159945449
N-methyl-4-[1-methyl-2-(3-phenylmethoxyanilino)benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040628
N-methyl-4-[1-methyl-2-[(3-oxo-1,2-dihydroisoindol-5-yl)amino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041150
4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041059
4-[2-[3-(furan-3-yl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22040449
4-[2-[4-chloro-3-(2-oxopropyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 158016312
N-methyl-4-[1-methyl-2-[4-(propan-2-ylcarbamoyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22040471

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen?
The IUPAC name of N-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen (CID 162216166) is N-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen is CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2ccc(OCC(F)(F)F)c(-c4cnc5ccccc5c4)c2)n3C)ccn1.[H][H].[H][H].
What is the InChIKey of N-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen?
The InChIKey is ZTMLWOSUEDDYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F3N6O3.2H2/c1-36-30(42)27-16-23(11-12-37-27)44-22-8-9-28-26(15-22)40-31(41(28)2)39-21-7-10-29(43-18-32(33,34)35)24(14-21)20-13-19-5-3-4-6-25(19)38-17-20;;/h3-17H,18H2,1-2H3,(H,36,42)(H,39,40);2*1H.
What are the key properties of N-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen?
N-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen has a molecular weight of 602.62 g/mol, XLogP of 7.51, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-methyl-2-[3-quinolin-3-yl-4-(2,2,2-trifluoroethoxy)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 162216166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).