N-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide

C88H82F4N12O11 — CID 160923552

IUPACN-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3cccc(CO)c3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccccc3CO)c12.COc1ccccc1/C=C/c1[nH]nc2ccc(C(=O)NC3CC3)c(OC)c12.O=C(N[C@H](CO)c1ccccc1)c1cc(F)c2n[nH]c(/C=C/c3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C25H19F4N3O2.3C21H21N3O3/c26-20-13-17(24(34)30-22(14-33)16-4-2-1-3-5-16)12-19-21(31-32-23(19)20)11-8-15-6-9-18(10-7-15)25(27,28)29;1-26-18-6-4-3-5-13(18)7-11-16-19-17(24-23-16)12-10-15(20(19)27-2)21(25)22-14-8-9-14;1-27-20-16(21(26)22-15-6-7-15)8-10-18-19(20)17(23-24-18)9-5-13-3-2-4-14(11-13)12-25;1-27-20-16(21(26)22-15-7-8-15)9-11-18-19(20)17(23-24-18)10-6-13-4-2-3-5-14(13)12-25/h1-13,22,33H,14H2,(H,30,34)(H,31,32);3-7,10-12,14H,8-9H2,1-2H3,(H,22,25)(H,23,24);2-5,8-11,15,25H,6-7,12H2,1H3,(H,22,26)(H,23,24);2-6,9-11,15,25H,7-8,12H2,1H3,(H,22,26)(H,23,24)/b11-8+;11-7+;9-5+;10-6+/t22-;;;/m1.../s1
InChIKeySSIOZOSUUBDTRC-QCSNYPLOSA-N
MW1559.69 g/mol
LogP15.25
Rot. Bonds24

About N-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide

N-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide (PubChem CID 160923552) has the molecular formula C88H82F4N12O11 and a molecular weight of 1559.69 g/mol. Its IUPAC name is N-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide
PubChem CID160923552
Molecular FormulaC88H82F4N12O11
Molecular Weight1559.69 g/mol
Exact Mass1558.62
IUPAC NameN-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3cccc(CO)c3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccccc3CO)c12.COc1ccccc1/C=C/c1[nH]nc2ccc(C(=O)NC3CC3)c(OC)c12.O=C(N[C@H](CO)c1ccccc1)c1cc(F)c2n[nH]c(/C=C/c3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C25H19F4N3O2.3C21H21N3O3/c26-20-13-17(24(34)30-22(14-33)16-4-2-1-3-5-16)12-19-21(31-32-23(19)20)11-8-15-6-9-18(10-7-15)25(27,28)29;1-26-18-6-4-3-5-13(18)7-11-16-19-17(24-23-16)12-10-15(20(19)27-2)21(25)22-14-8-9-14;1-27-20-16(21(26)22-15-6-7-15)8-10-18-19(20)17(23-24-18)9-5-13-3-2-4-14(11-13)12-25;1-27-20-16(21(26)22-15-7-8-15)9-11-18-19(20)17(23-24-18)10-6-13-4-2-3-5-14(13)12-25/h1-13,22,33H,14H2,(H,30,34)(H,31,32);3-7,10-12,14H,8-9H2,1-2H3,(H,22,25)(H,23,24);2-5,8-11,15,25H,6-7,12H2,1H3,(H,22,26)(H,23,24);2-6,9-11,15,25H,7-8,12H2,1H3,(H,22,26)(H,23,24)/b11-8+;11-7+;9-5+;10-6+/t22-;;;/m1.../s1
InChIKeySSIOZOSUUBDTRC-QCSNYPLOSA-N
XLogP15.25
TPSA328.73 Ų
H-Bond Donors11
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001559.69
LogP ≤ 515.25
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1015

Analyze N-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide with MolForge

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Related Compounds

3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797050
3-[(E)-2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797103
3-[(E)-2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 59797226
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60034988
4-(3-amino-3-oxopropoxy)-3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indazole-5-carboxamide
CID 60035036
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60035082
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60035117
3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-4-methoxy-1H-indazole-5-carboxamide
CID 60053814
3-[2-(3-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 90729103
3-[2-(2-fluorophenyl)ethenyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 90891478
3-[2-(4-fluorophenyl)ethenyl]-N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 90963822
3-[2-(4-fluorophenyl)ethenyl]-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxy-1H-indazole-5-carboxamide
CID 91007920

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide (CID 160923552) is N-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide is COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3cccc(CO)c3)c12.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccccc3CO)c12.COc1ccccc1/C=C/c1[nH]nc2ccc(C(=O)NC3CC3)c(OC)c12.O=C(N[C@H](CO)c1ccccc1)c1cc(F)c2n[nH]c(/C=C/c3ccc(C(F)(F)F)cc3)c2c1.
What is the InChIKey of N-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide?
The InChIKey is SSIOZOSUUBDTRC-QCSNYPLOSA-N. The full InChI is InChI=1S/C25H19F4N3O2.3C21H21N3O3/c26-20-13-17(24(34)30-22(14-33)16-4-2-1-3-5-16)12-19-21(31-32-23(19)20)11-8-15-6-9-18(10-7-15)25(27,28)29;1-26-18-6-4-3-5-13(18)7-11-16-19-17(24-23-16)12-10-15(20(19)27-2)21(25)22-14-8-9-14;1-27-20-16(21(26)22-15-6-7-15)8-10-18-19(20)17(23-24-18)9-5-13-3-2-4-14(11-13)12-25;1-27-20-16(21(26)22-15-7-8-15)9-11-18-19(20)17(23-24-18)10-6-13-4-2-3-5-14(13)12-25/h1-13,22,33H,14H2,(H,30,34)(H,31,32);3-7,10-12,14H,8-9H2,1-2H3,(H,22,25)(H,23,24);2-5,8-11,15,25H,6-7,12H2,1H3,(H,22,26)(H,23,24);2-6,9-11,15,25H,7-8,12H2,1H3,(H,22,26)(H,23,24)/b11-8+;11-7+;9-5+;10-6+/t22-;;;/m1.../s1.
What are the key properties of N-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide?
N-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide has a molecular weight of 1559.69 g/mol, XLogP of 15.25, 24 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(E)-2-[2-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-3-[(E)-2-[3-(hydroxymethyl)phenyl]ethenyl]-4-methoxy-2H-indazole-5-carboxamide;N-cyclopropyl-4-methoxy-3-[(E)-2-(2-methoxyphenyl)ethenyl]-2H-indazole-5-carboxamide;7-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-2H-indazole-5-carboxamide is sourced from PubChem (CID 160923552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).