butan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine

C94H100F12N14O18 — CID 158188892

IUPACbutan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine
SMILESC.C.CC(C)(C)OC(=O)NCc1noc(-c2c[nH]c3ncccc23)n1.CCC(C)O.CCOC(=O)C(=C/C=C/OC)C(=O)OCC.CCOC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O.NCc1ccc(C(F)(F)F)cc1.O=C(NCc1noc(-c2c[nH]c3ncccc23)n1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O.O=C(O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C24H17F3N6O3.C16H14F3NO3.C15H17N5O3.C14H10F3NO3.C11H16O5.C8H8F3N.C4H10O.2CH4/c25-24(26,27)15-7-5-14(6-8-15)13-33-10-2-4-17(23(33)35)21(34)30-12-19-31-22(36-32-19)18-11-29-20-16(18)3-1-9-28-20;1-2-23-15(22)13-4-3-9-20(14(13)21)10-11-5-7-12(8-6-11)16(17,18)19;1-15(2,3)22-14(21)18-8-11-19-13(23-20-11)10-7-17-12-9(10)5-4-6-16-12;15-14(16,17)10-5-3-9(4-6-10)8-18-7-1-2-11(12(18)19)13(20)21;1-4-15-10(12)9(7-6-8-14-3)11(13)16-5-2;9-8(10,11)7-3-1-6(5-12)2-4-7;1-3-4(2)5;;/h1-11H,12-13H2,(H,28,29)(H,30,34);3-9H,2,10H2,1H3;4-7H,8H2,1-3H3,(H,16,17)(H,18,21);1-7H,8H2,(H,20,21);6-8H,4-5H2,1-3H3;1-4H,5,12H2;4-5H,3H2,1-2H3;2*1H4/b;;;;8-6+;;;;
InChIKeyFZMOHGGXBJTXBX-XMLPAELWSA-N
MW1941.89 g/mol
LogP17.53
Rot. Bonds24

About butan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine

butan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 158188892) has the molecular formula C94H100F12N14O18 and a molecular weight of 1941.89 g/mol. Its IUPAC name is butan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Namebutan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine
PubChem CID158188892
Molecular FormulaC94H100F12N14O18
Molecular Weight1941.89 g/mol
Exact Mass1940.71
IUPAC Namebutan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine
SMILESC.C.CC(C)(C)OC(=O)NCc1noc(-c2c[nH]c3ncccc23)n1.CCC(C)O.CCOC(=O)C(=C/C=C/OC)C(=O)OCC.CCOC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O.NCc1ccc(C(F)(F)F)cc1.O=C(NCc1noc(-c2c[nH]c3ncccc23)n1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O.O=C(O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C24H17F3N6O3.C16H14F3NO3.C15H17N5O3.C14H10F3NO3.C11H16O5.C8H8F3N.C4H10O.2CH4/c25-24(26,27)15-7-5-14(6-8-15)13-33-10-2-4-17(23(33)35)21(34)30-12-19-31-22(36-32-19)18-11-29-20-16(18)3-1-9-28-20;1-2-23-15(22)13-4-3-9-20(14(13)21)10-11-5-7-12(8-6-11)16(17,18)19;1-15(2,3)22-14(21)18-8-11-19-13(23-20-11)10-7-17-12-9(10)5-4-6-16-12;15-14(16,17)10-5-3-9(4-6-10)8-18-7-1-2-11(12(18)19)13(20)21;1-4-15-10(12)9(7-6-8-14-3)11(13)16-5-2;9-8(10,11)7-3-1-6(5-12)2-4-7;1-3-4(2)5;;/h1-11H,12-13H2,(H,28,29)(H,30,34);3-9H,2,10H2,1H3;4-7H,8H2,1-3H3,(H,16,17)(H,18,21);1-7H,8H2,(H,20,21);6-8H,4-5H2,1-3H3;1-4H,5,12H2;4-5H,3H2,1-2H3;2*1H4/b;;;;8-6+;;;;
InChIKeyFZMOHGGXBJTXBX-XMLPAELWSA-N
XLogP17.53
TPSA440.31 Ų
H-Bond Donors7
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001941.89
LogP ≤ 517.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze butan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 1-[1-(4-methylphenyl)ethyl]-2-oxopyridine-3-carboxylate;1-[1-(4-methylphenyl)ethyl]-2-oxopyridine-3-carboxylic acid;1-[4-(trifluoromethyl)phenyl]ethanamine
CID 157207249
butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 1-[(3-fluoro-4-methylphenyl)methyl]-2-oxopyridine-3-carboxylate;1-[(3-fluoro-4-methylphenyl)methyl]-2-oxopyridine-3-carboxylic acid;[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;methane
CID 158000038
butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxylate;methane;1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine
CID 159028734
tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
CID 159361239
butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 1-[1-(4-methylphenyl)ethyl]-2-oxopyridine-3-carboxylate;methane;1-[1-(4-methylphenyl)ethyl]-2-oxopyridine-3-carboxylic acid;1-[4-(trifluoromethyl)phenyl]ethanamine
CID 160437542
butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 1-[(3-fluoro-4-methylphenyl)methyl]-2-oxopyridine-3-carboxylate;1-[(3-fluoro-4-methylphenyl)methyl]-2-oxopyridine-3-carboxylic acid;[3-fluoro-4-(trifluoromethyl)phenyl]methanamine
CID 161194331
butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxylate;1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine
CID 161405226
butan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide;2-oxo-1-[1-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxylic acid;1-[4-(trifluoromethyl)phenyl]ethanamine
CID 161492565
butan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxylate;[3-fluoro-4-(trifluoromethyl)phenyl]methanamine;1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxopyridine-3-carboxylic acid;1-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide;methane
CID 161954032
butan-2-ol;tert-butyl N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;N-[[5-(7H-cyclopenta[b]pyridin-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;(3,5-difluorophenyl)methanamine;1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;ethyl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate;methane
CID 158619919
butan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;(3,5-difluorophenyl)methanamine;1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylic acid;1-[(3,5-difluorophenyl)methyl]-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridine-3-carboxamide;ethyl 1-[(3,5-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate
CID 158895469
dipotassium;5-(bromomethyl)-1,2,3-trifluorobenzene;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;ethyl 5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylate;hydride;methyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate;5-nitro-2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide;5-nitro-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxylic acid;oxido formate
CID 160523569

Frequently Asked Questions

What is the IUPAC name of butan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of butan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine (CID 158188892) is butan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for butan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for butan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine is C.C.CC(C)(C)OC(=O)NCc1noc(-c2c[nH]c3ncccc23)n1.CCC(C)O.CCOC(=O)C(=C/C=C/OC)C(=O)OCC.CCOC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O.NCc1ccc(C(F)(F)F)cc1.O=C(NCc1noc(-c2c[nH]c3ncccc23)n1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O.O=C(O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of butan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is FZMOHGGXBJTXBX-XMLPAELWSA-N. The full InChI is InChI=1S/C24H17F3N6O3.C16H14F3NO3.C15H17N5O3.C14H10F3NO3.C11H16O5.C8H8F3N.C4H10O.2CH4/c25-24(26,27)15-7-5-14(6-8-15)13-33-10-2-4-17(23(33)35)21(34)30-12-19-31-22(36-32-19)18-11-29-20-16(18)3-1-9-28-20;1-2-23-15(22)13-4-3-9-20(14(13)21)10-11-5-7-12(8-6-11)16(17,18)19;1-15(2,3)22-14(21)18-8-11-19-13(23-20-11)10-7-17-12-9(10)5-4-6-16-12;15-14(16,17)10-5-3-9(4-6-10)8-18-7-1-2-11(12(18)19)13(20)21;1-4-15-10(12)9(7-6-8-14-3)11(13)16-5-2;9-8(10,11)7-3-1-6(5-12)2-4-7;1-3-4(2)5;;/h1-11H,12-13H2,(H,28,29)(H,30,34);3-9H,2,10H2,1H3;4-7H,8H2,1-3H3,(H,16,17)(H,18,21);1-7H,8H2,(H,20,21);6-8H,4-5H2,1-3H3;1-4H,5,12H2;4-5H,3H2,1-2H3;2*1H4/b;;;;8-6+;;;;.
What are the key properties of butan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine?
butan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 1941.89 g/mol, XLogP of 17.53, 24 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ol;tert-butyl N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate;diethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate;ethyl 2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate;methane;2-oxo-N-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazol-3-yl]methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide;2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid;[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 158188892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).