N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole

C96H92F3N17O14 — CID 160558454

IUPACN-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole
SMILESC=Cc1nn(C)c2ccc(C(=O)NC3CC3)c(OC)c12.C=Cc1nn(C)c2ccc(C(=O)N[C@H](CO)c3ccccc3)c(OC)c12.C=Cc1nn(C)c2ccc(C(=O)O)c(OC)c12.C=Cc1nn(C)c2ccc(C(=O)OCC)c(OC)c12.[C-]#[N+]c1ccc2[nH]nc(/C=C/c3cncc(CO)c3)c2c1OC.[C-]#[N+]c1ccc2n[nH]c(/C=C/c3ccccc3C(F)(F)F)c2c1OC
InChIInChI=1S/C20H21N3O3.C18H12F3N3O.C17H14N4O2.C15H17N3O2.C14H16N2O3.C12H12N2O3/c1-4-15-18-17(23(2)22-15)11-10-14(19(18)26-3)20(25)21-16(12-24)13-8-6-5-7-9-13;1-22-15-10-9-14-16(17(15)25-2)13(23-24-14)8-7-11-5-3-4-6-12(11)18(19,20)21;1-18-15-6-5-14-16(17(15)23-2)13(20-21-14)4-3-11-7-12(10-22)9-19-8-11;1-4-11-13-12(18(2)17-11)8-7-10(14(13)20-3)15(19)16-9-5-6-9;1-5-10-12-11(16(3)15-10)8-7-9(13(12)18-4)14(17)19-6-2;1-4-8-10-9(14(2)13-8)6-5-7(12(15)16)11(10)17-3/h4-11,16,24H,1,12H2,2-3H3,(H,21,25);3-10H,2H3,(H,23,24);3-9,22H,10H2,2H3,(H,20,21);4,7-9H,1,5-6H2,2-3H3,(H,16,19);5,7-8H,1,6H2,2-4H3;4-6H,1H2,2-3H3,(H,15,16)/b;8-7+;4-3+;;;/t16-;;;;;/m1...../s1
InChIKeyQYZNDZQGRYIREF-JJMIYDOXSA-N
MW1764.89 g/mol
LogP17.62
Rot. Bonds24

About N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole

N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole (PubChem CID 160558454) has the molecular formula C96H92F3N17O14 and a molecular weight of 1764.89 g/mol. Its IUPAC name is N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole.

Molecular Properties

Compound NameN-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole
PubChem CID160558454
Molecular FormulaC96H92F3N17O14
Molecular Weight1764.89 g/mol
Exact Mass1763.70
IUPAC NameN-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole
SMILESC=Cc1nn(C)c2ccc(C(=O)NC3CC3)c(OC)c12.C=Cc1nn(C)c2ccc(C(=O)N[C@H](CO)c3ccccc3)c(OC)c12.C=Cc1nn(C)c2ccc(C(=O)O)c(OC)c12.C=Cc1nn(C)c2ccc(C(=O)OCC)c(OC)c12.[C-]#[N+]c1ccc2[nH]nc(/C=C/c3cncc(CO)c3)c2c1OC.[C-]#[N+]c1ccc2n[nH]c(/C=C/c3ccccc3C(F)(F)F)c2c1OC
InChIInChI=1S/C20H21N3O3.C18H12F3N3O.C17H14N4O2.C15H17N3O2.C14H16N2O3.C12H12N2O3/c1-4-15-18-17(23(2)22-15)11-10-14(19(18)26-3)20(25)21-16(12-24)13-8-6-5-7-9-13;1-22-15-10-9-14-16(17(15)25-2)13(23-24-14)8-7-11-5-3-4-6-12(11)18(19,20)21;1-18-15-6-5-14-16(17(15)23-2)13(20-21-14)4-3-11-7-12(10-22)9-19-8-11;1-4-11-13-12(18(2)17-11)8-7-10(14(13)20-3)15(19)16-9-5-6-9;1-5-10-12-11(16(3)15-10)8-7-9(13(12)18-4)14(17)19-6-2;1-4-8-10-9(14(2)13-8)6-5-7(12(15)16)11(10)17-3/h4-11,16,24H,1,12H2,2-3H3,(H,21,25);3-10H,2H3,(H,23,24);3-9,22H,10H2,2H3,(H,20,21);4,7-9H,1,5-6H2,2-3H3,(H,16,19);5,7-8H,1,6H2,2-4H3;4-6H,1H2,2-3H3,(H,15,16)/b;8-7+;4-3+;;;/t16-;;;;;/m1...../s1
InChIKeyQYZNDZQGRYIREF-JJMIYDOXSA-N
XLogP17.62
TPSA367.89 Ų
H-Bond Donors7
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms130
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001764.89
LogP ≤ 517.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole?
The IUPAC name of N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole (CID 160558454) is N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole.
What is the SMILES notation for N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole?
The canonical SMILES for N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole is C=Cc1nn(C)c2ccc(C(=O)NC3CC3)c(OC)c12.C=Cc1nn(C)c2ccc(C(=O)N[C@H](CO)c3ccccc3)c(OC)c12.C=Cc1nn(C)c2ccc(C(=O)O)c(OC)c12.C=Cc1nn(C)c2ccc(C(=O)OCC)c(OC)c12.[C-]#[N+]c1ccc2[nH]nc(/C=C/c3cncc(CO)c3)c2c1OC.[C-]#[N+]c1ccc2n[nH]c(/C=C/c3ccccc3C(F)(F)F)c2c1OC.
What is the InChIKey of N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole?
The InChIKey is QYZNDZQGRYIREF-JJMIYDOXSA-N. The full InChI is InChI=1S/C20H21N3O3.C18H12F3N3O.C17H14N4O2.C15H17N3O2.C14H16N2O3.C12H12N2O3/c1-4-15-18-17(23(2)22-15)11-10-14(19(18)26-3)20(25)21-16(12-24)13-8-6-5-7-9-13;1-22-15-10-9-14-16(17(15)25-2)13(23-24-14)8-7-11-5-3-4-6-12(11)18(19,20)21;1-18-15-6-5-14-16(17(15)23-2)13(20-21-14)4-3-11-7-12(10-22)9-19-8-11;1-4-11-13-12(18(2)17-11)8-7-10(14(13)20-3)15(19)16-9-5-6-9;1-5-10-12-11(16(3)15-10)8-7-9(13(12)18-4)14(17)19-6-2;1-4-8-10-9(14(2)13-8)6-5-7(12(15)16)11(10)17-3/h4-11,16,24H,1,12H2,2-3H3,(H,21,25);3-10H,2H3,(H,23,24);3-9,22H,10H2,2H3,(H,20,21);4,7-9H,1,5-6H2,2-3H3,(H,16,19);5,7-8H,1,6H2,2-4H3;4-6H,1H2,2-3H3,(H,15,16)/b;8-7+;4-3+;;;/t16-;;;;;/m1...../s1.
What are the key properties of N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole?
N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole has a molecular weight of 1764.89 g/mol, XLogP of 17.62, 24 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-ethenyl-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-1-methylindazole-5-carboxamide;3-ethenyl-4-methoxy-1-methylindazole-5-carboxylic acid;ethyl 3-ethenyl-4-methoxy-1-methylindazole-5-carboxylate;[5-[(E)-2-(5-isocyano-4-methoxy-1H-indazol-3-yl)ethenyl]-3-pyridinyl]methanol;5-isocyano-4-methoxy-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole is sourced from PubChem (CID 160558454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).