1-[4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-2-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone

C133H109F15N38O16S4 — CID 162239823

IUPAC1-[4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-2-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone
SMILESCn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1cccnn1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1ncccc1F.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1C1(c2ccccn2)CC1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1C1(c2cccnc2)CC1.NCc1ccc(-c2nnn(Cc3c(F)cc(C(=O)CO)cc3F)n2)cc1.Nc1ccc(-c2nnn(Cc3c(F)cc(C(=O)CO)cc3F)n2)cc1.Nc1ccc(-c2nnn(Cc3ccc(C(=O)CO)cc3)n2)cc1.Nc1ccc(-c2nnnn2Cc2c(F)cc(C(=O)NO)cc2F)cc1
InChIInChI=1S/2C19H16F2N4O2S.C17H15F2N5O2.C16H11F3N4O2S.C16H13F2N5O2.C16H15N5O2.C15H12F2N6O2.C15H11F2N5O2S/c1-25-17(19(4-5-19)12-3-2-6-22-9-12)23-24-18(25)28-16-13(20)7-11(8-14(16)21)15(27)10-26;1-25-17(19(5-6-19)15-4-2-3-7-22-15)23-24-18(25)28-16-12(20)8-11(9-13(16)21)14(27)10-26;18-14-5-12(16(26)9-25)6-15(19)13(14)8-24-22-17(21-23-24)11-3-1-10(7-20)2-4-11;1-23-15(13-9(17)3-2-4-20-13)21-22-16(23)26-14-10(18)5-8(6-11(14)19)12(25)7-24;17-13-5-10(15(25)8-24)6-14(18)12(13)7-23-21-16(20-22-23)9-1-3-11(19)4-2-9;17-14-7-5-13(6-8-14)16-18-20-21(19-16)9-11-1-3-12(4-2-11)15(23)10-22;16-12-5-9(15(24)20-25)6-13(17)11(12)7-23-14(19-21-22-23)8-1-3-10(18)4-2-8;1-22-14(11-3-2-4-18-19-11)20-21-15(22)25-13-9(16)5-8(6-10(13)17)12(24)7-23/h2-3,6-9,26H,4-5,10H2,1H3;2-4,7-9,26H,5-6,10H2,1H3;1-6,25H,7-9,20H2;2-6,24H,7H2,1H3;1-6,24H,7-8,19H2;1-8,22H,9-10,17H2;1-6,25H,7,18H2,(H,20,24);2-6,23H,7H2,1H3
InChIKeyZWNWTDFLANFXOT-UHFFFAOYSA-N
MW2908.82 g/mol
LogP15.52
Rot. Bonds42

About 1-[4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-2-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone

1-[4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-2-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone (PubChem CID 162239823) has the molecular formula C133H109F15N38O16S4 and a molecular weight of 2908.82 g/mol. Its IUPAC name is 1-[4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-2-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-2-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone
PubChem CID162239823
Molecular FormulaC133H109F15N38O16S4
Molecular Weight2908.82 g/mol
Exact Mass2906.75
IUPAC Name1-[4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-2-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone
SMILESCn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1cccnn1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1ncccc1F.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1C1(c2ccccn2)CC1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1C1(c2cccnc2)CC1.NCc1ccc(-c2nnn(Cc3c(F)cc(C(=O)CO)cc3F)n2)cc1.Nc1ccc(-c2nnn(Cc3c(F)cc(C(=O)CO)cc3F)n2)cc1.Nc1ccc(-c2nnn(Cc3ccc(C(=O)CO)cc3)n2)cc1.Nc1ccc(-c2nnnn2Cc2c(F)cc(C(=O)NO)cc2F)cc1
InChIInChI=1S/2C19H16F2N4O2S.C17H15F2N5O2.C16H11F3N4O2S.C16H13F2N5O2.C16H15N5O2.C15H12F2N6O2.C15H11F2N5O2S/c1-25-17(19(4-5-19)12-3-2-6-22-9-12)23-24-18(25)28-16-13(20)7-11(8-14(16)21)15(27)10-26;1-25-17(19(5-6-19)15-4-2-3-7-22-15)23-24-18(25)28-16-12(20)8-11(9-13(16)21)14(27)10-26;18-14-5-12(16(26)9-25)6-15(19)13(14)8-24-22-17(21-23-24)11-3-1-10(7-20)2-4-11;1-23-15(13-9(17)3-2-4-20-13)21-22-16(23)26-14-10(18)5-8(6-11(14)19)12(25)7-24;17-13-5-10(15(25)8-24)6-14(18)12(13)7-23-21-16(20-22-23)9-1-3-11(19)4-2-9;17-14-7-5-13(6-8-14)16-18-20-21(19-16)9-11-1-3-12(4-2-11)15(23)10-22;16-12-5-9(15(24)20-25)6-13(17)11(12)7-23-14(19-21-22-23)8-1-3-10(18)4-2-8;1-22-14(11-3-2-4-18-19-11)20-21-15(22)25-13-9(16)5-8(6-10(13)17)12(24)7-23/h2-3,6-9,26H,4-5,10H2,1H3;2-4,7-9,26H,5-6,10H2,1H3;1-6,25H,7-9,20H2;2-6,24H,7H2,1H3;1-6,24H,7-8,19H2;1-8,22H,9-10,17H2;1-6,25H,7,18H2,(H,20,24);2-6,23H,7H2,1H3
InChIKeyZWNWTDFLANFXOT-UHFFFAOYSA-N
XLogP15.52
TPSA776.20 Ų
H-Bond Donors13
H-Bond Acceptors57
Rotatable Bonds42
Heavy Atoms206
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002908.82
LogP ≤ 515.52
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-2-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-difluoro-N-hydroxy-4-[[5-(5-morpholin-4-yl-3-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]benzamide;3,5-difluoro-N-hydroxy-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide;3,5-difluoro-N-hydroxy-4-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)sulfanyl]benzamide;1-[3,5-difluoro-4-[[4-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone
CID 159691077
1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;3,5-difluoro-N-hydroxy-4-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)methyl]benzamide;1-[3,5-difluoro-4-[[4-methyl-5-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(2-pyridin-3-ylpropan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone
CID 160587962
1-[3,5-Difluoro-4-[(5-isoquinolin-1-yl-4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-isoquinolin-1-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-quinolin-2-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-pyrimidin-2-yltetrazol-1-yl)methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(5-quinolin-2-yltetrazol-2-yl)methyl]phenyl]-2-hydroxyethanone;2-hydroxy-1-[4-[(5-pyrimidin-2-yltetrazol-2-yl)methyl]phenyl]ethanone
CID 161197881
1-[4-[[5-(1-Benzyl-4-phenylpiperidin-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;methane
CID 161913762
4-[[5-[3-(azepan-1-ylmethyl)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-difluoro-N-hydroxybenzamide;4-[[5-[4-(azepan-1-ylmethyl)phenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-[3-(4-benzylpiperazin-1-yl)sulfonylphenyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-difluorophenyl]-2-hydroxyethanone;3,5-difluoro-N-hydroxy-4-[[4-methyl-5-[3-(4-methylpiperazin-1-yl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]benzamide;1-[3,5-difluoro-4-[[4-methyl-5-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;4-[[5-(2,6-difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-3,5-difluoro-N-hydroxybenzamide
CID 161971086

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-2-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-2-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone (CID 162239823) is 1-[4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-2-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-2-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-2-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone is Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1cccnn1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1-c1ncccc1F.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1C1(c2ccccn2)CC1.Cn1c(Sc2c(F)cc(C(=O)CO)cc2F)nnc1C1(c2cccnc2)CC1.NCc1ccc(-c2nnn(Cc3c(F)cc(C(=O)CO)cc3F)n2)cc1.Nc1ccc(-c2nnn(Cc3c(F)cc(C(=O)CO)cc3F)n2)cc1.Nc1ccc(-c2nnn(Cc3ccc(C(=O)CO)cc3)n2)cc1.Nc1ccc(-c2nnnn2Cc2c(F)cc(C(=O)NO)cc2F)cc1.
What is the InChIKey of 1-[4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-2-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone?
The InChIKey is ZWNWTDFLANFXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H16F2N4O2S.C17H15F2N5O2.C16H11F3N4O2S.C16H13F2N5O2.C16H15N5O2.C15H12F2N6O2.C15H11F2N5O2S/c1-25-17(19(4-5-19)12-3-2-6-22-9-12)23-24-18(25)28-16-13(20)7-11(8-14(16)21)15(27)10-26;1-25-17(19(5-6-19)15-4-2-3-7-22-15)23-24-18(25)28-16-12(20)8-11(9-13(16)21)14(27)10-26;18-14-5-12(16(26)9-25)6-15(19)13(14)8-24-22-17(21-23-24)11-3-1-10(7-20)2-4-11;1-23-15(13-9(17)3-2-4-20-13)21-22-16(23)26-14-10(18)5-8(6-11(14)19)12(25)7-24;17-13-5-10(15(25)8-24)6-14(18)12(13)7-23-21-16(20-22-23)9-1-3-11(19)4-2-9;17-14-7-5-13(6-8-14)16-18-20-21(19-16)9-11-1-3-12(4-2-11)15(23)10-22;16-12-5-9(15(24)20-25)6-13(17)11(12)7-23-14(19-21-22-23)8-1-3-10(18)4-2-8;1-22-14(11-3-2-4-18-19-11)20-21-15(22)25-13-9(16)5-8(6-10(13)17)12(24)7-23/h2-3,6-9,26H,4-5,10H2,1H3;2-4,7-9,26H,5-6,10H2,1H3;1-6,25H,7-9,20H2;2-6,24H,7H2,1H3;1-6,24H,7-8,19H2;1-8,22H,9-10,17H2;1-6,25H,7,18H2,(H,20,24);2-6,23H,7H2,1H3.
What are the key properties of 1-[4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-2-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone?
1-[4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-2-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone has a molecular weight of 2908.82 g/mol, XLogP of 15.52, 42 rotatable bonds, 13 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-[4-(aminomethyl)phenyl]tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;4-[[5-(4-aminophenyl)tetrazol-1-yl]methyl]-3,5-difluoro-N-hydroxybenzamide;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]-3,5-difluorophenyl]-2-hydroxyethanone;1-[4-[[5-(4-aminophenyl)tetrazol-2-yl]methyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[5-(3-fluoro-2-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[(4-methyl-5-pyridazin-3-yl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-2-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone;1-[3,5-difluoro-4-[[4-methyl-5-(1-pyridin-3-ylcyclopropyl)-1,2,4-triazol-3-yl]sulfanyl]phenyl]-2-hydroxyethanone is sourced from PubChem (CID 162239823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).