N-(1-amino-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid

C75H74N14O15 — CID 158421421

IUPACN-(1-amino-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid
SMILESCCOC(=O)c1ccc2c(c(/C=C/c3ccc(OC)nc3)nn2C)c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)nc3)c2c1OC.COc1c(C(=O)NC(C)C(N)=O)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)O)c(OC)c23)cn1
InChIInChI=1S/C20H21N3O4.C19H19N5O3.C19H19N3O4.C17H15N3O4/c1-5-27-20(24)14-8-10-16-18(19(14)26-4)15(22-23(16)2)9-6-13-7-11-17(25-3)21-12-13;1-11(18(20)25)22-19(26)13-4-6-15-16(17(13)27-2)14(23-24-15)5-3-12-7-9-21-10-8-12;1-4-26-19(23)13-7-9-15-17(18(13)25-3)14(21-22-15)8-5-12-6-10-16(24-2)20-11-12;1-23-14-8-4-10(9-18-14)3-6-12-15-13(20-19-12)7-5-11(17(21)22)16(15)24-2/h6-12H,5H2,1-4H3;3-11H,1-2H3,(H2,20,25)(H,22,26)(H,23,24);5-11H,4H2,1-3H3,(H,21,22);3-9H,1-2H3,(H,19,20)(H,21,22)/b9-6+;5-3+;8-5+;6-3+
InChIKeyHANNRIZLPQYPDJ-YHXDVKGKSA-N
MW1411.50 g/mol
LogP11.24
Rot. Bonds23

About N-(1-amino-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid

N-(1-amino-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid (PubChem CID 158421421) has the molecular formula C75H74N14O15 and a molecular weight of 1411.50 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid
PubChem CID158421421
Molecular FormulaC75H74N14O15
Molecular Weight1411.50 g/mol
Exact Mass1410.55
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid
SMILESCCOC(=O)c1ccc2c(c(/C=C/c3ccc(OC)nc3)nn2C)c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)nc3)c2c1OC.COc1c(C(=O)NC(C)C(N)=O)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)O)c(OC)c23)cn1
InChIInChI=1S/C20H21N3O4.C19H19N5O3.C19H19N3O4.C17H15N3O4/c1-5-27-20(24)14-8-10-16-18(19(14)26-4)15(22-23(16)2)9-6-13-7-11-17(25-3)21-12-13;1-11(18(20)25)22-19(26)13-4-6-15-16(17(13)27-2)14(23-24-15)5-3-12-7-9-21-10-8-12;1-4-26-19(23)13-7-9-15-17(18(13)25-3)14(21-22-15)8-5-12-6-10-16(24-2)20-11-12;1-23-14-8-4-10(9-18-14)3-6-12-15-13(20-19-12)7-5-11(17(21)22)16(15)24-2/h6-12H,5H2,1-4H3;3-11H,1-2H3,(H2,20,25)(H,22,26)(H,23,24);5-11H,4H2,1-3H3,(H,21,22);3-9H,1-2H3,(H,19,20)(H,21,22)/b9-6+;5-3+;8-5+;6-3+
InChIKeyHANNRIZLPQYPDJ-YHXDVKGKSA-N
XLogP11.24
TPSA382.12 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds23
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001411.50
LogP ≤ 511.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze N-(1-amino-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[(3R,6S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-hydroxypiperidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 56591339
ethyl 1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carboxylate
CID 67996576
(2S,5R)-1-(2-fluoro-6-methoxybenzyl)-5-(3-(2-methylpyridin-4-yl)-1H-indazole-5-carboxamido)-piperidine-2-carboxylic acid
CID 67996739
1-(2-Amino-2-oxo-1-pyridin-2-ylethyl)-3-[2-(4-fluorophenyl)ethenyl]-4-methoxyindazole-5-carboxylic acid
CID 69777198
1-(2-Amino-2-oxo-1-pyridin-4-ylethyl)-3-[2-(4-fluorophenyl)ethenyl]-4-methoxyindazole-5-carboxylic acid
CID 69778279
1-(2-Amino-2-oxo-1-pyridin-3-ylethyl)-3-[2-(4-fluorophenyl)ethenyl]-4-methoxyindazole-5-carboxylic acid
CID 69778284
cyclopentyl 4-[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate
CID 70652307
methyl 4-[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate
CID 70652345
propan-2-yl 4-[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate
CID 70652589
ethyl 4-[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate
CID 70653112
oxan-4-yl 4-[(2S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1H-indazole-5-carbonyl]amino]piperidine-2-carbonyl]piperazine-1-carboxylate
CID 89499211
N-[1-[(2-fluoro-6-methoxyphenyl)methyl]-6-(4-hydroxypiperidine-1-carbonyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide
CID 123290123

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid (CID 158421421) is N-(1-amino-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid is CCOC(=O)c1ccc2c(c(/C=C/c3ccc(OC)nc3)nn2C)c1OC.CCOC(=O)c1ccc2n[nH]c(/C=C/c3ccc(OC)nc3)c2c1OC.COc1c(C(=O)NC(C)C(N)=O)ccc2n[nH]c(/C=C/c3ccncc3)c12.COc1ccc(/C=C/c2[nH]nc3ccc(C(=O)O)c(OC)c23)cn1.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid?
The InChIKey is HANNRIZLPQYPDJ-YHXDVKGKSA-N. The full InChI is InChI=1S/C20H21N3O4.C19H19N5O3.C19H19N3O4.C17H15N3O4/c1-5-27-20(24)14-8-10-16-18(19(14)26-4)15(22-23(16)2)9-6-13-7-11-17(25-3)21-12-13;1-11(18(20)25)22-19(26)13-4-6-15-16(17(13)27-2)14(23-24-15)5-3-12-7-9-21-10-8-12;1-4-26-19(23)13-7-9-15-17(18(13)25-3)14(21-22-15)8-5-12-6-10-16(24-2)20-11-12;1-23-14-8-4-10(9-18-14)3-6-12-15-13(20-19-12)7-5-11(17(21)22)16(15)24-2/h6-12H,5H2,1-4H3;3-11H,1-2H3,(H2,20,25)(H,22,26)(H,23,24);5-11H,4H2,1-3H3,(H,21,22);3-9H,1-2H3,(H,19,20)(H,21,22)/b9-6+;5-3+;8-5+;6-3+.
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid?
N-(1-amino-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid has a molecular weight of 1411.50 g/mol, XLogP of 11.24, 23 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-4-methoxy-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylate;ethyl 4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-1-methylindazole-5-carboxylate;4-methoxy-3-[(E)-2-(6-methoxy-3-pyridinyl)ethenyl]-2H-indazole-5-carboxylic acid is sourced from PubChem (CID 158421421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).