ethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide

C75H77N12O12P — CID 161067115

IUPACethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide
SMILESC/C(=C\c1[nH]nc2ccccc12)C(=O)O.CCOC(=O)/C(C)=C/c1[nH]nc2ccccc12.CCOC(=O)C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1.CNOC.CON(C)C(=O)c1n[nH]c2ccccc12.O=C(O)c1n[nH]c2ccccc12.O=Cc1[nH]nc2ccccc12
InChIInChI=1S/C23H23O2P.C13H14N2O2.C11H10N2O2.C10H11N3O2.C8H6N2O2.C8H6N2O.C2H7NO/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-3-17-13(16)9(2)8-12-10-6-4-5-7-11(10)14-15-12;1-7(11(14)15)6-10-8-4-2-3-5-9(8)12-13-10;1-13(15-2)10(14)9-7-5-3-4-6-8(7)11-12-9;11-8(12)7-5-3-1-2-4-6(5)9-10-7;11-5-8-6-3-1-2-4-7(6)9-10-8;1-3-4-2/h4-18H,3H2,1-2H3;4-8H,3H2,1-2H3,(H,14,15);2-6H,1H3,(H,12,13)(H,14,15);3-6H,1-2H3,(H,11,12);1-4H,(H,9,10)(H,11,12);1-5H,(H,9,10);3H,1-2H3/b;9-8+;7-6+;;;;
InChIKeyUEEAJDABNUPQKG-GVHJLVJSSA-N
MW1369.49 g/mol
LogP11.92
Rot. Bonds15

About ethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide

ethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide (PubChem CID 161067115) has the molecular formula C75H77N12O12P and a molecular weight of 1369.49 g/mol. Its IUPAC name is ethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Nameethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide
PubChem CID161067115
Molecular FormulaC75H77N12O12P
Molecular Weight1369.49 g/mol
Exact Mass1368.55
IUPAC Nameethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide
SMILESC/C(=C\c1[nH]nc2ccccc12)C(=O)O.CCOC(=O)/C(C)=C/c1[nH]nc2ccccc12.CCOC(=O)C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1.CNOC.CON(C)C(=O)c1n[nH]c2ccccc12.O=C(O)c1n[nH]c2ccccc12.O=Cc1[nH]nc2ccccc12
InChIInChI=1S/C23H23O2P.C13H14N2O2.C11H10N2O2.C10H11N3O2.C8H6N2O2.C8H6N2O.C2H7NO/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-3-17-13(16)9(2)8-12-10-6-4-5-7-11(10)14-15-12;1-7(11(14)15)6-10-8-4-2-3-5-9(8)12-13-10;1-13(15-2)10(14)9-7-5-3-4-6-8(7)11-12-9;11-8(12)7-5-3-1-2-4-6(5)9-10-7;11-5-8-6-3-1-2-4-7(6)9-10-8;1-3-4-2/h4-18H,3H2,1-2H3;4-8H,3H2,1-2H3,(H,14,15);2-6H,1H3,(H,12,13)(H,14,15);3-6H,1-2H3,(H,11,12);1-4H,(H,9,10)(H,11,12);1-5H,(H,9,10);3H,1-2H3/b;9-8+;7-6+;;;;
InChIKeyUEEAJDABNUPQKG-GVHJLVJSSA-N
XLogP11.92
TPSA338.47 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001369.49
LogP ≤ 511.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium;carbanide;ethyl 2-diphenoxyphosphorylacetate;ethyl (Z)-3-(1H-indazol-3-yl)but-2-enoate;(E)-3-(1H-indazol-3-yl)but-2-enoic acid;1-(1H-indazol-3-yl)ethanone;N-methoxy-N-methyl-1H-indazole-3-carboxamide;chloride
CID 157133203
7-fluoro-2H-indazole-3-carboxylic acid;1-(7-fluoro-2H-indazol-3-yl)ethanone;7-fluoro-N-methoxy-N-methyl-2H-indazole-3-carboxamide;7-fluoro-3-prop-1-en-2-yl-1H-indazole
CID 157454492
5-amino-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;N-methyl-5-nitro-1H-indazole-3-carboxamide;5-nitro-1H-indazole-3-carboxylic acid
CID 157740196
tert-butyl 2-(3-formylindazol-1-yl)acetate;2H-indazole-3-carbaldehyde;methyl (2S)-3-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-3-yl]-2-(phenylmethoxycarbonylamino)propanoate;methyl (E)-3-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-3-yl]-2-(phenylmethoxycarbonylamino)prop-2-enoate;(2S)-3-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazol-3-yl]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 158052167
1H-indazole-3-carboxylic acid;1-(2H-indazol-3-yl)-N-methylmethanamine;N-methyl-1H-indazole-3-carboxamide
CID 158260994
1H-indazole-3-carboxylic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide;hydrochloride
CID 158578394
2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;2H-indazol-3-ylmethanol;3-(2H-indazol-3-yl)propanoic acid;methane;methyl 3-(2H-indazol-3-yl)propanoate;methyl (Z)-3-(1H-indazol-3-yl)prop-2-enoate
CID 158793805
2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;2H-indazol-3-ylmethanol;3-(2H-indazol-3-yl)propanoic acid;methyl 3-(2H-indazol-3-yl)propanoate;methyl (Z)-3-(1H-indazol-3-yl)prop-2-enoate
CID 159149487
2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;2H-indazol-3-ylmethanol;3-(2H-indazol-3-yl)propanoic acid;methyl 3-(2H-indazol-3-yl)propanoate;methyl (E)-3-(1H-indazol-3-yl)prop-2-enoate
CID 159149488
5-(3-cyano-5-isocyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-(3-formyl-2H-indazol-5-yl)-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile;5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;4-[3-(hydroxymethyl)-2H-indazol-5-yl]-5-isocyano-2,6-dimethyl-1,4-dihydropyridine-3-carbonitrile
CID 159747957
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;1-bromoethylbenzene;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-phenylethyl)indazole-3-carboxamide;1H-indazole-3-carboxylic acid;methyl 1H-indazole-3-carboxylate;methyl 1-(1-phenylethyl)indazole-3-carboxylate;methyl 2-(1-phenylethyl)indazole-3-carboxylate;1-(1-phenylethyl)indazole-3-carboxylic acid
CID 160961957
3-ethyl-2H-indazole;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;3-(2H-indazol-3-yl)propanoic acid;methyl 3-(2H-indazol-3-yl)propanoate;methyl (Z)-3-(1H-indazol-3-yl)prop-2-enoate
CID 161233078

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of ethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide (CID 161067115) is ethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for ethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for ethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide is C/C(=C\c1[nH]nc2ccccc12)C(=O)O.CCOC(=O)/C(C)=C/c1[nH]nc2ccccc12.CCOC(=O)C(C)=P(c1ccccc1)(c1ccccc1)c1ccccc1.CNOC.CON(C)C(=O)c1n[nH]c2ccccc12.O=C(O)c1n[nH]c2ccccc12.O=Cc1[nH]nc2ccccc12.
What is the InChIKey of ethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is UEEAJDABNUPQKG-GVHJLVJSSA-N. The full InChI is InChI=1S/C23H23O2P.C13H14N2O2.C11H10N2O2.C10H11N3O2.C8H6N2O2.C8H6N2O.C2H7NO/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-3-17-13(16)9(2)8-12-10-6-4-5-7-11(10)14-15-12;1-7(11(14)15)6-10-8-4-2-3-5-9(8)12-13-10;1-13(15-2)10(14)9-7-5-3-4-6-8(7)11-12-9;11-8(12)7-5-3-1-2-4-6(5)9-10-7;11-5-8-6-3-1-2-4-7(6)9-10-8;1-3-4-2/h4-18H,3H2,1-2H3;4-8H,3H2,1-2H3,(H,14,15);2-6H,1H3,(H,12,13)(H,14,15);3-6H,1-2H3,(H,11,12);1-4H,(H,9,10)(H,11,12);1-5H,(H,9,10);3H,1-2H3/b;9-8+;7-6+;;;;.
What are the key properties of ethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide?
ethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 1369.49 g/mol, XLogP of 11.92, 15 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-λ5-phosphanylidene)propanoate;2H-indazole-3-carbaldehyde;1H-indazole-3-carboxylic acid;(E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoic acid;N-methoxymethanamine;N-methoxy-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 161067115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).