(1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;tert-butyl azepane-1-carboxylate;tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole

C102H112Br2ClF4N17O16 — CID 172989117

IUPAC(1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;tert-butyl azepane-1-carboxylate;tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole
SMILESC#Cc1[nH]nc2cc(OCCOC)c(F)cc12.CC(C)(C)OC(=O)N1CCCCCC1.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(Br)cc4)no3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)no3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCCNCC5)cc4)no3)c2cc1F.O/N=C(\Cl)c1ccc(Br)cc1
InChIInChI=1S/C29H34FN5O5.C24H26FN5O3.C19H15BrFN3O3.C12H11FN2O2.C11H21NO2.C7H5BrClNO/c1-29(2,3)39-28(36)35-11-5-10-34(12-13-35)20-8-6-19(7-9-20)23-17-26(40-33-23)27-21-16-22(30)25(38-15-14-37-4)18-24(21)31-32-27;1-31-11-12-32-22-15-21-18(13-19(22)25)24(28-27-21)23-14-20(29-33-23)16-3-5-17(6-4-16)30-9-2-7-26-8-10-30;1-25-6-7-26-17-10-16-13(8-14(17)21)19(23-22-16)18-9-15(24-27-18)11-2-4-12(20)5-3-11;1-3-10-8-6-9(13)12(17-5-4-16-2)7-11(8)15-14-10;1-11(2,3)14-10(13)12-8-6-4-5-7-9-12;8-6-3-1-5(2-4-6)7(9)10-11/h6-9,16-18H,5,10-15H2,1-4H3,(H,31,32);3-6,13-15,26H,2,7-12H2,1H3,(H,27,28);2-5,8-10H,6-7H2,1H3,(H,22,23);1,6-7H,4-5H2,2H3,(H,14,15);4-9H2,1-3H3;1-4,11H/b;;;;;10-7-
InChIKeyKWXCQTDMUPOHJZ-LHRKZNTLSA-N
MW2103.37 g/mol
LogP21.49
Rot. Bonds25

About (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;tert-butyl azepane-1-carboxylate;tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole

(1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;tert-butyl azepane-1-carboxylate;tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole (PubChem CID 172989117) has the molecular formula C102H112Br2ClF4N17O16 and a molecular weight of 2103.37 g/mol. Its IUPAC name is (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;tert-butyl azepane-1-carboxylate;tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole.

Molecular Properties

Compound Name(1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;tert-butyl azepane-1-carboxylate;tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole
PubChem CID172989117
Molecular FormulaC102H112Br2ClF4N17O16
Molecular Weight2103.37 g/mol
Exact Mass2099.65
IUPAC Name(1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;tert-butyl azepane-1-carboxylate;tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole
SMILESC#Cc1[nH]nc2cc(OCCOC)c(F)cc12.CC(C)(C)OC(=O)N1CCCCCC1.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(Br)cc4)no3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)no3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCCNCC5)cc4)no3)c2cc1F.O/N=C(\Cl)c1ccc(Br)cc1
InChIInChI=1S/C29H34FN5O5.C24H26FN5O3.C19H15BrFN3O3.C12H11FN2O2.C11H21NO2.C7H5BrClNO/c1-29(2,3)39-28(36)35-11-5-10-34(12-13-35)20-8-6-19(7-9-20)23-17-26(40-33-23)27-21-16-22(30)25(38-15-14-37-4)18-24(21)31-32-27;1-31-11-12-32-22-15-21-18(13-19(22)25)24(28-27-21)23-14-20(29-33-23)16-3-5-17(6-4-16)30-9-2-7-26-8-10-30;1-25-6-7-26-17-10-16-13(8-14(17)21)19(23-22-16)18-9-15(24-27-18)11-2-4-12(20)5-3-11;1-3-10-8-6-9(13)12(17-5-4-16-2)7-11(8)15-14-10;1-11(2,3)14-10(13)12-8-6-4-5-7-9-12;8-6-3-1-5(2-4-6)7(9)10-11/h6-9,16-18H,5,10-15H2,1-4H3,(H,31,32);3-6,13-15,26H,2,7-12H2,1H3,(H,27,28);2-5,8-10H,6-7H2,1H3,(H,22,23);1,6-7H,4-5H2,2H3,(H,14,15);4-9H2,1-3H3;1-4,11H/b;;;;;10-7-
InChIKeyKWXCQTDMUPOHJZ-LHRKZNTLSA-N
XLogP21.49
TPSA376.83 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002103.37
LogP ≤ 521.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;tert-butyl azepane-1-carboxylate;tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 3-ethynyl-5-fluoro-6-(2-methoxyethoxy)indazole-1-carboxylate;tert-butyl 5-fluoro-6-(2-methoxyethoxy)-3-[3-[4-(2-oxo-1-pyridinyl)phenyl]-1,2-oxazol-5-yl]indazole-1-carboxylate;1-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]pyridin-2-one;1-[4-[(E)-hydroxyiminomethyl]phenyl]pyridin-2-one
CID 172947456
(1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole;5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-3-[4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazole;1-methylpiperazine
CID 172984402

Frequently Asked Questions

What is the IUPAC name of (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;tert-butyl azepane-1-carboxylate;tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole?
The IUPAC name of (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;tert-butyl azepane-1-carboxylate;tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole (CID 172989117) is (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;tert-butyl azepane-1-carboxylate;tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole.
What is the SMILES notation for (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;tert-butyl azepane-1-carboxylate;tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole?
The canonical SMILES for (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;tert-butyl azepane-1-carboxylate;tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole is C#Cc1[nH]nc2cc(OCCOC)c(F)cc12.CC(C)(C)OC(=O)N1CCCCCC1.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(Br)cc4)no3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCCN(C(=O)OC(C)(C)C)CC5)cc4)no3)c2cc1F.COCCOc1cc2[nH]nc(-c3cc(-c4ccc(N5CCCNCC5)cc4)no3)c2cc1F.O/N=C(\Cl)c1ccc(Br)cc1.
What is the InChIKey of (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;tert-butyl azepane-1-carboxylate;tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole?
The InChIKey is KWXCQTDMUPOHJZ-LHRKZNTLSA-N. The full InChI is InChI=1S/C29H34FN5O5.C24H26FN5O3.C19H15BrFN3O3.C12H11FN2O2.C11H21NO2.C7H5BrClNO/c1-29(2,3)39-28(36)35-11-5-10-34(12-13-35)20-8-6-19(7-9-20)23-17-26(40-33-23)27-21-16-22(30)25(38-15-14-37-4)18-24(21)31-32-27;1-31-11-12-32-22-15-21-18(13-19(22)25)24(28-27-21)23-14-20(29-33-23)16-3-5-17(6-4-16)30-9-2-7-26-8-10-30;1-25-6-7-26-17-10-16-13(8-14(17)21)19(23-22-16)18-9-15(24-27-18)11-2-4-12(20)5-3-11;1-3-10-8-6-9(13)12(17-5-4-16-2)7-11(8)15-14-10;1-11(2,3)14-10(13)12-8-6-4-5-7-9-12;8-6-3-1-5(2-4-6)7(9)10-11/h6-9,16-18H,5,10-15H2,1-4H3,(H,31,32);3-6,13-15,26H,2,7-12H2,1H3,(H,27,28);2-5,8-10H,6-7H2,1H3,(H,22,23);1,6-7H,4-5H2,2H3,(H,14,15);4-9H2,1-3H3;1-4,11H/b;;;;;10-7-.
What are the key properties of (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;tert-butyl azepane-1-carboxylate;tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole?
(1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;tert-butyl azepane-1-carboxylate;tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole has a molecular weight of 2103.37 g/mol, XLogP of 21.49, 25 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-4-bromo-N-hydroxybenzenecarboximidoyl chloride;3-(4-bromophenyl)-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;tert-butyl azepane-1-carboxylate;tert-butyl 4-[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)phenyl]-5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazole;3-ethynyl-5-fluoro-6-(2-methoxyethoxy)-2H-indazole is sourced from PubChem (CID 172989117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).