N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide

C85H95FN22O10 — CID 159979992

IUPACN'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide
SMILESCCCN1CCN(C(=O)c2ccc3[nH]nc(/C(=N/c4ccccc4)NO)c3c2)CC1.COCCN1CCN(C(=O)c2ccc3[nH]nc(/C(=N/c4ccccc4)NO)c3c2)CC1.COc1ccc(/N=C(\NO)c2n[nH]c3ccc(C(=O)N4CCCCC4)cc23)cc1.O=C(c1ccc2[nH]nc(/C(=N/c3ccc(F)cc3)NO)c2c1)N1CCCCC1
InChIInChI=1S/C22H26N6O3.C22H26N6O2.C21H23N5O3.C20H20FN5O2/c1-31-14-13-27-9-11-28(12-10-27)22(29)16-7-8-19-18(15-16)20(25-24-19)21(26-30)23-17-5-3-2-4-6-17;1-2-10-27-11-13-28(14-12-27)22(29)16-8-9-19-18(15-16)20(25-24-19)21(26-30)23-17-6-4-3-5-7-17;1-29-16-8-6-15(7-9-16)22-20(25-28)19-17-13-14(5-10-18(17)23-24-19)21(27)26-11-3-2-4-12-26;21-14-5-7-15(8-6-14)22-19(25-28)18-16-12-13(4-9-17(16)23-24-18)20(27)26-10-2-1-3-11-26/h2-8,15,30H,9-14H2,1H3,(H,23,26)(H,24,25);3-9,15,30H,2,10-14H2,1H3,(H,23,26)(H,24,25);5-10,13,28H,2-4,11-12H2,1H3,(H,22,25)(H,23,24);4-9,12,28H,1-3,10-11H2,(H,22,25)(H,23,24)
InChIKeyOFQCWFCNIUDXCU-UHFFFAOYSA-N
MW1603.84 g/mol
LogP11.45
Rot. Bonds18

About N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide

N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide (PubChem CID 159979992) has the molecular formula C85H95FN22O10 and a molecular weight of 1603.84 g/mol. Its IUPAC name is N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide
PubChem CID159979992
Molecular FormulaC85H95FN22O10
Molecular Weight1603.84 g/mol
Exact Mass1602.76
IUPAC NameN'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide
SMILESCCCN1CCN(C(=O)c2ccc3[nH]nc(/C(=N/c4ccccc4)NO)c3c2)CC1.COCCN1CCN(C(=O)c2ccc3[nH]nc(/C(=N/c4ccccc4)NO)c3c2)CC1.COc1ccc(/N=C(\NO)c2n[nH]c3ccc(C(=O)N4CCCCC4)cc23)cc1.O=C(c1ccc2[nH]nc(/C(=N/c3ccc(F)cc3)NO)c2c1)N1CCCCC1
InChIInChI=1S/C22H26N6O3.C22H26N6O2.C21H23N5O3.C20H20FN5O2/c1-31-14-13-27-9-11-28(12-10-27)22(29)16-7-8-19-18(15-16)20(25-24-19)21(26-30)23-17-5-3-2-4-6-17;1-2-10-27-11-13-28(14-12-27)22(29)16-8-9-19-18(15-16)20(25-24-19)21(26-30)23-17-6-4-3-5-7-17;1-29-16-8-6-15(7-9-16)22-20(25-28)19-17-13-14(5-10-18(17)23-24-19)21(27)26-11-3-2-4-12-26;21-14-5-7-15(8-6-14)22-19(25-28)18-16-12-13(4-9-17(16)23-24-18)20(27)26-10-2-1-3-11-26/h2-8,15,30H,9-14H2,1H3,(H,23,26)(H,24,25);3-9,15,30H,2,10-14H2,1H3,(H,23,26)(H,24,25);5-10,13,28H,2-4,11-12H2,1H3,(H,22,25)(H,23,24);4-9,12,28H,1-3,10-11H2,(H,22,25)(H,23,24)
InChIKeyOFQCWFCNIUDXCU-UHFFFAOYSA-N
XLogP11.45
TPSA399.38 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001603.84
LogP ≤ 511.45
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide with MolForge

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Related Compounds

N-[2-amino-1-[3-[4-[2-[[3-(3-fluoro-1H-indazol-5-yl)benzoyl]amino]-2-[3-methoxy-5-[4-[2-(3-methoxyphenyl)-2-[[3-(3-methyl-1H-indazol-5-yl)benzoyl]amino]ethyl]piperazin-2-yl]phenyl]ethyl]piperazin-2-yl]-5-methylphenyl]ethyl]-3-(3-fluoro-1H-indazol-5-yl)benzamide
CID 166874212
N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide
CID 137239962
[3-(1-anilinoethenyl)-1H-indazol-5-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-phenylethenylamino)-1H-indazol-5-yl]-piperidin-1-ylmethanone
CID 158510262
N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;3-(N-hydroxy-N'-phenylcarbamimidoyl)-1H-indazole-5-carboxylic acid;N-hydroxy-N'-phenyl-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;5-nitro-1H-indazol-3-amine
CID 159058338
[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-hydroxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone
CID 159208410
3-[N'-(4-fluorophenyl)-N-hydroxycarbamimidoyl]-1H-indazole-5-carboxylic acid;3-[N-hydroxy-N'-(4-hydroxyphenyl)carbamimidoyl]-1H-indazole-5-carboxylic acid;N-hydroxy-N'-(4-hydroxyphenyl)-5-nitro-1H-indazole-3-carboximidamide;3-[N-hydroxy-N'-(4-methoxyphenyl)carbamimidoyl]-1H-indazole-5-carboxylic acid;N-hydroxy-N'-(4-methoxyphenyl)-5-nitro-1H-indazole-3-carboximidamide;3-(N-hydroxy-N'-phenylcarbamimidoyl)-1H-indazole-5-carboxylic acid;N-hydroxy-N'-phenyl-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;methyl 3-(N-hydroxy-N'-phenylcarbamimidoyl)-1H-indazole-5-carboxylate
CID 160175835
tert-butyl 4-[2-[[3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carbonyl]amino]acetyl]piperazine-1-carboxylate;N-[2-(diethylamino)-2-oxoethyl]-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-methoxy-N-(2-morpholin-4-yl-2-oxoethyl)-2H-indazole-5-carboxamide
CID 160298010
[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-hydroxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;3-[1-(4-methoxyanilino)ethenyl]-1H-indazole-5-carboxylic acid;methyl 3-(1-anilinoethenyl)-1H-indazole-5-carboxylate
CID 160792146
3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-(4-propylpiperazin-1-yl)methanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone
CID 160888285
N'-(4-fluorophenyl)-N-hydroxy-5-[4-(2-imidazol-1-ylethyl)piperazine-1-carbonyl]-1H-indazole-3-carboximidamide;N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-hydroxyphenyl)-5-[4-(2-imidazol-1-ylethyl)piperazine-1-carbonyl]-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-hydroxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-imidazol-1-ylethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide
CID 160923072
3-(1-anilinoethenyl)-1H-indazole-5-carboxylic acid;[3-(1-anilinoethenyl)-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-fluoroanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;[3-[1-(4-methoxyanilino)ethenyl]-1H-indazol-5-yl]-piperidin-1-ylmethanone;5-nitro-1H-indazol-3-amine
CID 161531370
N-[3-[8-(2-aminoethoxy)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-4-fluorobenzamide;N-[3-[8-[2-(dimethylamino)ethoxy]-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-3-fluorobenzamide;N-[3-[8-(dimethylamino)-3-methyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl]propyl]-2-fluorobenzamide;N-[3-(3,8-dimethyl-4-oxo-2H-pyrazolo[4,3-c]quinolin-5-yl)propyl]-4-fluorobenzamide
CID 161863868

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide?
The IUPAC name of N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide (CID 159979992) is N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide.
What is the SMILES notation for N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide?
The canonical SMILES for N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide is CCCN1CCN(C(=O)c2ccc3[nH]nc(/C(=N/c4ccccc4)NO)c3c2)CC1.COCCN1CCN(C(=O)c2ccc3[nH]nc(/C(=N/c4ccccc4)NO)c3c2)CC1.COc1ccc(/N=C(\NO)c2n[nH]c3ccc(C(=O)N4CCCCC4)cc23)cc1.O=C(c1ccc2[nH]nc(/C(=N/c3ccc(F)cc3)NO)c2c1)N1CCCCC1.
What is the InChIKey of N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide?
The InChIKey is OFQCWFCNIUDXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3.C22H26N6O2.C21H23N5O3.C20H20FN5O2/c1-31-14-13-27-9-11-28(12-10-27)22(29)16-7-8-19-18(15-16)20(25-24-19)21(26-30)23-17-5-3-2-4-6-17;1-2-10-27-11-13-28(14-12-27)22(29)16-8-9-19-18(15-16)20(25-24-19)21(26-30)23-17-6-4-3-5-7-17;1-29-16-8-6-15(7-9-16)22-20(25-28)19-17-13-14(5-10-18(17)23-24-19)21(27)26-11-3-2-4-12-26;21-14-5-7-15(8-6-14)22-19(25-28)18-16-12-13(4-9-17(16)23-24-18)20(27)26-10-2-1-3-11-26/h2-8,15,30H,9-14H2,1H3,(H,23,26)(H,24,25);3-9,15,30H,2,10-14H2,1H3,(H,23,26)(H,24,25);5-10,13,28H,2-4,11-12H2,1H3,(H,22,25)(H,23,24);4-9,12,28H,1-3,10-11H2,(H,22,25)(H,23,24).
What are the key properties of N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide?
N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide has a molecular weight of 1603.84 g/mol, XLogP of 11.45, 18 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)-N-hydroxy-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-5-[4-(2-methoxyethyl)piperazine-1-carbonyl]-N'-phenyl-1H-indazole-3-carboximidamide;N-hydroxy-N'-(4-methoxyphenyl)-5-(piperidine-1-carbonyl)-1H-indazole-3-carboximidamide;N-hydroxy-N'-phenyl-5-(4-propylpiperazine-1-carbonyl)-1H-indazole-3-carboximidamide is sourced from PubChem (CID 159979992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).