N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid

C72H67N13O11 — CID 158548641

IUPACN-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid
SMILESCCOC(=O)c1ccc2c(c(/C=C/c3ccncc3)nn2C)c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccncc3)c2c1OC.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccncc3)c12
InChIInChI=1S/C19H18N4O2.C19H19N3O3.C18H17N3O3.C16H13N3O3/c1-25-18-14(19(24)21-13-3-4-13)5-7-16-17(18)15(22-23-16)6-2-12-8-10-20-11-9-12;1-4-25-19(23)14-6-8-16-17(18(14)24-3)15(21-22(16)2)7-5-13-9-11-20-12-10-13;1-3-24-18(22)13-5-7-15-16(17(13)23-2)14(20-21-15)6-4-12-8-10-19-11-9-12;1-22-15-11(16(20)21)3-5-13-14(15)12(18-19-13)4-2-10-6-8-17-9-7-10/h2,5-11,13H,3-4H2,1H3,(H,21,24)(H,22,23);5-12H,4H2,1-3H3;4-11H,3H2,1-2H3,(H,20,21);2-9H,1H3,(H,18,19)(H,20,21)/b6-2+;7-5+;6-4+;4-2+
InChIKeyHPLCBNZRLIJDIY-VFXJRYJTSA-N
MW1290.41 g/mol
LogP12.50
Rot. Bonds19

About N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid

N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid (PubChem CID 158548641) has the molecular formula C72H67N13O11 and a molecular weight of 1290.41 g/mol. Its IUPAC name is N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound NameN-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid
PubChem CID158548641
Molecular FormulaC72H67N13O11
Molecular Weight1290.41 g/mol
Exact Mass1289.51
IUPAC NameN-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid
SMILESCCOC(=O)c1ccc2c(c(/C=C/c3ccncc3)nn2C)c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccncc3)c2c1OC.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccncc3)c12
InChIInChI=1S/C19H18N4O2.C19H19N3O3.C18H17N3O3.C16H13N3O3/c1-25-18-14(19(24)21-13-3-4-13)5-7-16-17(18)15(22-23-16)6-2-12-8-10-20-11-9-12;1-4-25-19(23)14-6-8-16-17(18(14)24-3)15(21-22(16)2)7-5-13-9-11-20-12-10-13;1-3-24-18(22)13-5-7-15-16(17(13)23-2)14(20-21-15)6-4-12-8-10-19-11-9-12;1-22-15-11(16(20)21)3-5-13-14(15)12(18-19-13)4-2-10-6-8-17-9-7-10/h2,5-11,13H,3-4H2,1H3,(H,21,24)(H,22,23);5-12H,4H2,1-3H3;4-11H,3H2,1-2H3,(H,20,21);2-9H,1H3,(H,18,19)(H,20,21)/b6-2+;7-5+;6-4+;4-2+
InChIKeyHPLCBNZRLIJDIY-VFXJRYJTSA-N
XLogP12.50
TPSA311.34 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001290.41
LogP ≤ 512.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Analyze N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-3-ethenyl-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 159518786
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
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;5-isocyano-4-methoxy-3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-indazole;5-isocyano-4-methoxy-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-indazole
CID 161417873
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[4-[2-[4-[4-(2,4-dioxo-1,3-diazinan-1-yl)indol-1-yl]piperidin-1-yl]-1,1-difluoroethyl]cyclohexyl]-6-methoxyindazole-5-carboxamide;methyl 2-[4-(2-hydroxyethyl)cyclohexyl]-6-methoxyindazole-5-carboxylate
CID 176396101
1-[1-[1-(2-cyclohexyl-2,2-difluoroethyl)piperidin-4-yl]indol-4-yl]-1,3-diazinane-2,4-dione;6-methoxy-1H-indazole-5-carboxylic acid
CID 177065275
N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole-5-carboxamide
CID 59797184
N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-1H-indazole-5-carboxamide
CID 69287567
N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide
CID 72564526
N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-(2-pyridin-3-ylethenyl)-1H-indazole-5-carboxamide
CID 91393544
N-(2-hydroxy-1-phenylethyl)-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide
CID 135987955
N-[(1S)-2-hydroxy-1-phenylethyl]-4-methoxy-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide
CID 136354803
N-cyclopropyl-4-methoxy-3-[(E)-2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide;N-(furan-2-ylmethyl)-4-methoxy-3-[(E)-2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxamide;N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;4-methoxy-3-[(E)-2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxylic acid;methyl 4-methoxy-3-[(E)-2-(6-oxo-1H-pyridin-2-yl)ethenyl]-2H-indazole-5-carboxylate
CID 157157765

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid?
The IUPAC name of N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid (CID 158548641) is N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid.
What is the SMILES notation for N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid?
The canonical SMILES for N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid is CCOC(=O)c1ccc2c(c(/C=C/c3ccncc3)nn2C)c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccncc3)c2c1OC.COc1c(C(=O)NC2CC2)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1c(C(=O)O)ccc2n[nH]c(/C=C/c3ccncc3)c12.
What is the InChIKey of N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid?
The InChIKey is HPLCBNZRLIJDIY-VFXJRYJTSA-N. The full InChI is InChI=1S/C19H18N4O2.C19H19N3O3.C18H17N3O3.C16H13N3O3/c1-25-18-14(19(24)21-13-3-4-13)5-7-16-17(18)15(22-23-16)6-2-12-8-10-20-11-9-12;1-4-25-19(23)14-6-8-16-17(18(14)24-3)15(21-22(16)2)7-5-13-9-11-20-12-10-13;1-3-24-18(22)13-5-7-15-16(17(13)23-2)14(20-21-15)6-4-12-8-10-19-11-9-12;1-22-15-11(16(20)21)3-5-13-14(15)12(18-19-13)4-2-10-6-8-17-9-7-10/h2,5-11,13H,3-4H2,1H3,(H,21,24)(H,22,23);5-12H,4H2,1-3H3;4-11H,3H2,1-2H3,(H,20,21);2-9H,1H3,(H,18,19)(H,20,21)/b6-2+;7-5+;6-4+;4-2+.
What are the key properties of N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid?
N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid has a molecular weight of 1290.41 g/mol, XLogP of 12.50, 19 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-1-methyl-3-[(E)-2-pyridin-4-ylethenyl]indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylate;4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 158548641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).