5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;N-methoxy-N-methyl-1H-indazole-3-carboxamide

C39H38IN11O9 — CID 162097889

IUPAC5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;N-methoxy-N-methyl-1H-indazole-3-carboxamide
SMILESCON(C)C(=O)c1n[nH]c2ccc(C=O)cc12.CON(C)C(=O)c1n[nH]c2ccc(I)cc12.CON(C)C(=O)c1n[nH]c2ccccc12.O=C(O)c1n[nH]c2ccccc12
InChIInChI=1S/C11H11N3O3.C10H10IN3O2.C10H11N3O2.C8H6N2O2/c1-14(17-2)11(16)10-8-5-7(6-15)3-4-9(8)12-13-10;1-14(16-2)10(15)9-7-5-6(11)3-4-8(7)12-13-9;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/h3-6H,1-2H3,(H,12,13);3-5H,1-2H3,(H,12,13);3-6H,1-2H3,(H,11,12);1-4H,(H,9,10)(H,11,12)
InChIKeyZEMNLPZRHOEJMQ-UHFFFAOYSA-N
MW931.70 g/mol
LogP5.27
Rot. Bonds8

About 5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;N-methoxy-N-methyl-1H-indazole-3-carboxamide

5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;N-methoxy-N-methyl-1H-indazole-3-carboxamide (PubChem CID 162097889) has the molecular formula C39H38IN11O9 and a molecular weight of 931.70 g/mol. Its IUPAC name is 5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;N-methoxy-N-methyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;N-methoxy-N-methyl-1H-indazole-3-carboxamide
PubChem CID162097889
Molecular FormulaC39H38IN11O9
Molecular Weight931.70 g/mol
Exact Mass931.19
IUPAC Name5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;N-methoxy-N-methyl-1H-indazole-3-carboxamide
SMILESCON(C)C(=O)c1n[nH]c2ccc(C=O)cc12.CON(C)C(=O)c1n[nH]c2ccc(I)cc12.CON(C)C(=O)c1n[nH]c2ccccc12.O=C(O)c1n[nH]c2ccccc12
InChIInChI=1S/C11H11N3O3.C10H10IN3O2.C10H11N3O2.C8H6N2O2/c1-14(17-2)11(16)10-8-5-7(6-15)3-4-9(8)12-13-10;1-14(16-2)10(15)9-7-5-6(11)3-4-8(7)12-13-9;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/h3-6H,1-2H3,(H,12,13);3-5H,1-2H3,(H,12,13);3-6H,1-2H3,(H,11,12);1-4H,(H,9,10)(H,11,12)
InChIKeyZEMNLPZRHOEJMQ-UHFFFAOYSA-N
XLogP5.27
TPSA257.71 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500931.70
LogP ≤ 55.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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
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
ethyl (E)-3-(2H-indazol-3-yl)-2-methylprop-2-enoate;ethyl 2-(triphenyl-lambda5-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
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
1H-indazole-3-carboxylic acid;iodomethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;N-methoxy-N-methyl-1H-indazole-3-carboxamide;triiodovanadium;hydroiodide
CID 161623926
1H-indazole-3-carboxylic acid;iodomethane;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;5-iodo-N-methoxy-N-methyl-1-(oxan-2-yl)indazole-3-carboxamide;5-iodo-1-(oxan-2-yl)indazole-3-carbaldehyde;methane;N-methoxy-N-methyl-1H-indazole-3-carboxamide;triiodovanadium;hydroiodide
CID 162055168

Frequently Asked Questions

What is the IUPAC name of 5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;N-methoxy-N-methyl-1H-indazole-3-carboxamide?
The IUPAC name of 5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;N-methoxy-N-methyl-1H-indazole-3-carboxamide (CID 162097889) is 5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;N-methoxy-N-methyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;N-methoxy-N-methyl-1H-indazole-3-carboxamide?
The canonical SMILES for 5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;N-methoxy-N-methyl-1H-indazole-3-carboxamide is CON(C)C(=O)c1n[nH]c2ccc(C=O)cc12.CON(C)C(=O)c1n[nH]c2ccc(I)cc12.CON(C)C(=O)c1n[nH]c2ccccc12.O=C(O)c1n[nH]c2ccccc12.
What is the InChIKey of 5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;N-methoxy-N-methyl-1H-indazole-3-carboxamide?
The InChIKey is ZEMNLPZRHOEJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3.C10H10IN3O2.C10H11N3O2.C8H6N2O2/c1-14(17-2)11(16)10-8-5-7(6-15)3-4-9(8)12-13-10;1-14(16-2)10(15)9-7-5-6(11)3-4-8(7)12-13-9;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/h3-6H,1-2H3,(H,12,13);3-5H,1-2H3,(H,12,13);3-6H,1-2H3,(H,11,12);1-4H,(H,9,10)(H,11,12).
What are the key properties of 5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;N-methoxy-N-methyl-1H-indazole-3-carboxamide?
5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;N-methoxy-N-methyl-1H-indazole-3-carboxamide has a molecular weight of 931.70 g/mol, XLogP of 5.27, 8 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-N-methoxy-N-methyl-1H-indazole-3-carboxamide;1H-indazole-3-carboxylic acid;5-iodo-N-methoxy-N-methyl-1H-indazole-3-carboxamide;N-methoxy-N-methyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 162097889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).