N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;methane

C120H101F25N20O11 — CID 158913191

IUPACN-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;methane
SMILESC.C.Cc1c(NC(=O)c2cncc(-c3ccco3)c2)cnn1C(C)c1ccc(C(F)(F)F)cc1C(C)(F)F.Cc1c(NC(=O)c2cncc(-c3ccco3)c2)cnn1Cc1ccc(C(F)(F)F)cc1C(C)(F)F.Cc1nn(-c2ccc(C(C)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cc(-c2ccco2)on1.Cc1nn(-c2ccc(C(C)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cncc(-c2ccco2)c1.Cc1nn(C(C)c2ccc(C(F)(F)F)cc2C(C)(F)F)cc1NC(=O)c1cncc(-c2ccco2)c1
InChIInChI=1S/2C25H21F5N4O2.C24H19F5N4O2.C23H17F5N4O2.C21H15F5N4O3.2CH4/c1-14-21(32-23(35)17-9-16(11-31-12-17)22-5-4-8-36-22)13-34(33-14)15(2)19-7-6-18(25(28,29)30)10-20(19)24(3,26)27;1-14(19-7-6-18(25(28,29)30)10-20(19)24(3,26)27)34-15(2)21(13-32-34)33-23(35)17-9-16(11-31-12-17)22-5-4-8-36-22;1-14-20(32-22(34)17-8-16(10-30-11-17)21-4-3-7-35-21)12-31-33(14)13-15-5-6-18(24(27,28)29)9-19(15)23(2,25)26;1-13-18(30-21(33)15-8-14(10-29-11-15)20-4-3-7-34-20)12-32(31-13)19-6-5-16(22(2,24)25)9-17(19)23(26,27)28;1-11-15(27-19(31)14-9-18(33-29-14)17-4-3-7-32-17)10-30(28-11)16-6-5-12(20(2,22)23)8-13(16)21(24,25)26;;/h4-13,15H,1-3H3,(H,32,35);4-14H,1-3H3,(H,33,35);3-12H,13H2,1-2H3,(H,32,34);3-12H,1-2H3,(H,30,33);3-10H,1-2H3,(H,27,31);2*1H4
InChIKeyJGXGMHDEIDOYCP-UHFFFAOYSA-N
MW2474.21 g/mol
LogP33.26
Rot. Bonds28

About N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;methane

N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;methane (PubChem CID 158913191) has the molecular formula C120H101F25N20O11 and a molecular weight of 2474.21 g/mol. Its IUPAC name is N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;methane.

Molecular Properties

Compound NameN-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;methane
PubChem CID158913191
Molecular FormulaC120H101F25N20O11
Molecular Weight2474.21 g/mol
Exact Mass2472.76
IUPAC NameN-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;methane
SMILESC.C.Cc1c(NC(=O)c2cncc(-c3ccco3)c2)cnn1C(C)c1ccc(C(F)(F)F)cc1C(C)(F)F.Cc1c(NC(=O)c2cncc(-c3ccco3)c2)cnn1Cc1ccc(C(F)(F)F)cc1C(C)(F)F.Cc1nn(-c2ccc(C(C)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cc(-c2ccco2)on1.Cc1nn(-c2ccc(C(C)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cncc(-c2ccco2)c1.Cc1nn(C(C)c2ccc(C(F)(F)F)cc2C(C)(F)F)cc1NC(=O)c1cncc(-c2ccco2)c1
InChIInChI=1S/2C25H21F5N4O2.C24H19F5N4O2.C23H17F5N4O2.C21H15F5N4O3.2CH4/c1-14-21(32-23(35)17-9-16(11-31-12-17)22-5-4-8-36-22)13-34(33-14)15(2)19-7-6-18(25(28,29)30)10-20(19)24(3,26)27;1-14(19-7-6-18(25(28,29)30)10-20(19)24(3,26)27)34-15(2)21(13-32-34)33-23(35)17-9-16(11-31-12-17)22-5-4-8-36-22;1-14-20(32-22(34)17-8-16(10-30-11-17)21-4-3-7-35-21)12-31-33(14)13-15-5-6-18(24(27,28)29)9-19(15)23(2,25)26;1-13-18(30-21(33)15-8-14(10-29-11-15)20-4-3-7-34-20)12-32(31-13)19-6-5-16(22(2,24)25)9-17(19)23(26,27)28;1-11-15(27-19(31)14-9-18(33-29-14)17-4-3-7-32-17)10-30(28-11)16-6-5-12(20(2,22)23)8-13(16)21(24,25)26;;/h4-13,15H,1-3H3,(H,32,35);4-14H,1-3H3,(H,33,35);3-12H,13H2,1-2H3,(H,32,34);3-12H,1-2H3,(H,30,33);3-10H,1-2H3,(H,27,31);2*1H4
InChIKeyJGXGMHDEIDOYCP-UHFFFAOYSA-N
XLogP33.26
TPSA377.89 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002474.21
LogP ≤ 533.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;methane with MolForge

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Related Compounds

N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 148373614
N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 148373615
N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 147002331
N-[1-[(1R)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 148373613
N-[1-[2,4-bis(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 148425817
N-[1-[[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 166634907
N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 147463507
N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 148367122
N-[1-[1-[2,4-bis(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[2,4-bis(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;methane
CID 157283047
N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;methane;N-[1-[(1S)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 157330545
N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(4-fluorophenyl)pyridine-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(5-methylfuran-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;N-[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenylpyridine-3-carboxamide;N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-(2,3-dihydro-1H-inden-1-yl)pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 157374111
(E)-N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;(E)-N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-3-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;(E)-N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-3-(furan-2-yl)prop-2-enamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide;methane
CID 157723105

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;methane?
The IUPAC name of N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;methane (CID 158913191) is N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;methane.
What is the SMILES notation for N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;methane?
The canonical SMILES for N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;methane is C.C.Cc1c(NC(=O)c2cncc(-c3ccco3)c2)cnn1C(C)c1ccc(C(F)(F)F)cc1C(C)(F)F.Cc1c(NC(=O)c2cncc(-c3ccco3)c2)cnn1Cc1ccc(C(F)(F)F)cc1C(C)(F)F.Cc1nn(-c2ccc(C(C)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cc(-c2ccco2)on1.Cc1nn(-c2ccc(C(C)(F)F)cc2C(F)(F)F)cc1NC(=O)c1cncc(-c2ccco2)c1.Cc1nn(C(C)c2ccc(C(F)(F)F)cc2C(C)(F)F)cc1NC(=O)c1cncc(-c2ccco2)c1.
What is the InChIKey of N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;methane?
The InChIKey is JGXGMHDEIDOYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H21F5N4O2.C24H19F5N4O2.C23H17F5N4O2.C21H15F5N4O3.2CH4/c1-14-21(32-23(35)17-9-16(11-31-12-17)22-5-4-8-36-22)13-34(33-14)15(2)19-7-6-18(25(28,29)30)10-20(19)24(3,26)27;1-14(19-7-6-18(25(28,29)30)10-20(19)24(3,26)27)34-15(2)21(13-32-34)33-23(35)17-9-16(11-31-12-17)22-5-4-8-36-22;1-14-20(32-22(34)17-8-16(10-30-11-17)21-4-3-7-35-21)12-31-33(14)13-15-5-6-18(24(27,28)29)9-19(15)23(2,25)26;1-13-18(30-21(33)15-8-14(10-29-11-15)20-4-3-7-34-20)12-32(31-13)19-6-5-16(22(2,24)25)9-17(19)23(26,27)28;1-11-15(27-19(31)14-9-18(33-29-14)17-4-3-7-32-17)10-30(28-11)16-6-5-12(20(2,22)23)8-13(16)21(24,25)26;;/h4-13,15H,1-3H3,(H,32,35);4-14H,1-3H3,(H,33,35);3-12H,13H2,1-2H3,(H,32,34);3-12H,1-2H3,(H,30,33);3-10H,1-2H3,(H,27,31);2*1H4.
What are the key properties of N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;methane?
N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;methane has a molecular weight of 2474.21 g/mol, XLogP of 33.26, 28 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[1-[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]ethyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[[2-(1,1-difluoroethyl)-4-(trifluoromethyl)phenyl]methyl]-5-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide;N-[1-[4-(1,1-difluoroethyl)-2-(trifluoromethyl)phenyl]-3-methylpyrazol-4-yl]-5-(furan-2-yl)pyridine-3-carboxamide;methane is sourced from PubChem (CID 158913191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).