N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid

C77H65F4N11O11 — CID 158861969

IUPACN-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O.O=C(NC1CC1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O.O=C(NCc1ccco1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O.O=C(O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O
InChIInChI=1S/C21H16FN3O3.C21H22FN3O3.C19H16FN3O2.C16H11FN2O3/c22-14-6-3-13(4-7-14)5-9-17-19-18(25-24-17)10-8-16(20(19)26)21(27)23-12-15-2-1-11-28-15;1-12(2)18(11-26)23-21(28)15-8-10-17-19(20(15)27)16(24-25-17)9-5-13-3-6-14(22)7-4-13;20-12-4-1-11(2-5-12)3-9-15-17-16(23-22-15)10-8-14(18(17)24)19(25)21-13-6-7-13;17-10-4-1-9(2-5-10)3-7-12-14-13(19-18-12)8-6-11(15(14)20)16(21)22/h1-11,26H,12H2,(H,23,27)(H,24,25);3-10,12,18,26-27H,11H2,1-2H3,(H,23,28)(H,24,25);1-5,8-10,13,24H,6-7H2,(H,21,25)(H,22,23);1-8,20H,(H,18,19)(H,21,22)/b2*9-5+;9-3+;7-3+/t;18-;;/m.1../s1
InChIKeyJATOWRIQSPDGMC-MBMZVRRHSA-N
MW1396.42 g/mol
LogP14.17
Rot. Bonds18

About N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid

N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid (PubChem CID 158861969) has the molecular formula C77H65F4N11O11 and a molecular weight of 1396.42 g/mol. Its IUPAC name is N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound NameN-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid
PubChem CID158861969
Molecular FormulaC77H65F4N11O11
Molecular Weight1396.42 g/mol
Exact Mass1395.48
IUPAC NameN-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O.O=C(NC1CC1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O.O=C(NCc1ccco1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O.O=C(O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O
InChIInChI=1S/C21H16FN3O3.C21H22FN3O3.C19H16FN3O2.C16H11FN2O3/c22-14-6-3-13(4-7-14)5-9-17-19-18(25-24-17)10-8-16(20(19)26)21(27)23-12-15-2-1-11-28-15;1-12(2)18(11-26)23-21(28)15-8-10-17-19(20(15)27)16(24-25-17)9-5-13-3-6-14(22)7-4-13;20-12-4-1-11(2-5-12)3-9-15-17-16(23-22-15)10-8-14(18(17)24)19(25)21-13-6-7-13;17-10-4-1-9(2-5-10)3-7-12-14-13(19-18-12)8-6-11(15(14)20)16(21)22/h1-11,26H,12H2,(H,23,27)(H,24,25);3-10,12,18,26-27H,11H2,1-2H3,(H,23,28)(H,24,25);1-5,8-10,13,24H,6-7H2,(H,21,25)(H,22,23);1-8,20H,(H,18,19)(H,21,22)/b2*9-5+;9-3+;7-3+/t;18-;;/m.1../s1
InChIKeyJATOWRIQSPDGMC-MBMZVRRHSA-N
XLogP14.17
TPSA353.61 Ų
H-Bond Donors13
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001396.42
LogP ≤ 514.17
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1014

Analyze N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid?
The IUPAC name of N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid (CID 158861969) is N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid.
What is the SMILES notation for N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid?
The canonical SMILES for N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid is CC(C)[C@@H](CO)NC(=O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O.O=C(NC1CC1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O.O=C(NCc1ccco1)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O.O=C(O)c1ccc2n[nH]c(/C=C/c3ccc(F)cc3)c2c1O.
What is the InChIKey of N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid?
The InChIKey is JATOWRIQSPDGMC-MBMZVRRHSA-N. The full InChI is InChI=1S/C21H16FN3O3.C21H22FN3O3.C19H16FN3O2.C16H11FN2O3/c22-14-6-3-13(4-7-14)5-9-17-19-18(25-24-17)10-8-16(20(19)26)21(27)23-12-15-2-1-11-28-15;1-12(2)18(11-26)23-21(28)15-8-10-17-19(20(15)27)16(24-25-17)9-5-13-3-6-14(22)7-4-13;20-12-4-1-11(2-5-12)3-9-15-17-16(23-22-15)10-8-14(18(17)24)19(25)21-13-6-7-13;17-10-4-1-9(2-5-10)3-7-12-14-13(19-18-12)8-6-11(15(14)20)16(21)22/h1-11,26H,12H2,(H,23,27)(H,24,25);3-10,12,18,26-27H,11H2,1-2H3,(H,23,28)(H,24,25);1-5,8-10,13,24H,6-7H2,(H,21,25)(H,22,23);1-8,20H,(H,18,19)(H,21,22)/b2*9-5+;9-3+;7-3+/t;18-;;/m.1../s1.
What are the key properties of N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid?
N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid has a molecular weight of 1396.42 g/mol, XLogP of 14.17, 18 rotatable bonds, 13 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-N-(furan-2-ylmethyl)-4-hydroxy-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2H-indazole-5-carboxamide;3-[(E)-2-(4-fluorophenyl)ethenyl]-4-hydroxy-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 158861969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).