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

C37H31F4N9O5 — CID 157454492

IUPAC7-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
SMILESC=C(C)c1n[nH]c2c(F)cccc12.CC(=O)c1[nH]nc2c(F)cccc12.CON(C)C(=O)c1[nH]nc2c(F)cccc12.O=C(O)c1[nH]nc2c(F)cccc12
InChIInChI=1S/C10H10FN3O2.C10H9FN2.C9H7FN2O.C8H5FN2O2/c1-14(16-2)10(15)9-6-4-3-5-7(11)8(6)12-13-9;1-6(2)9-7-4-3-5-8(11)10(7)13-12-9;1-5(13)8-6-3-2-4-7(10)9(6)12-11-8;9-5-3-1-2-4-6(5)10-11-7(4)8(12)13/h3-5H,1-2H3,(H,12,13);3-5H,1H2,2H3,(H,12,13);2-4H,1H3,(H,11,12);1-3H,(H,10,11)(H,12,13)
InChIKeyBTEOEOYKDYDZMQ-UHFFFAOYSA-N
MW757.71 g/mol
LogP7.38
Rot. Bonds5

About 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

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 (PubChem CID 157454492) has the molecular formula C37H31F4N9O5 and a molecular weight of 757.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID157454492
Molecular FormulaC37H31F4N9O5
Molecular Weight757.71 g/mol
Exact Mass757.24
IUPAC Name7-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
SMILESC=C(C)c1n[nH]c2c(F)cccc12.CC(=O)c1[nH]nc2c(F)cccc12.CON(C)C(=O)c1[nH]nc2c(F)cccc12.O=C(O)c1[nH]nc2c(F)cccc12
InChIInChI=1S/C10H10FN3O2.C10H9FN2.C9H7FN2O.C8H5FN2O2/c1-14(16-2)10(15)9-6-4-3-5-7(11)8(6)12-13-9;1-6(2)9-7-4-3-5-8(11)10(7)13-12-9;1-5(13)8-6-3-2-4-7(10)9(6)12-11-8;9-5-3-1-2-4-6(5)10-11-7(4)8(12)13/h3-5H,1-2H3,(H,12,13);3-5H,1H2,2H3,(H,12,13);2-4H,1H3,(H,11,12);1-3H,(H,10,11)(H,12,13)
InChIKeyBTEOEOYKDYDZMQ-UHFFFAOYSA-N
XLogP7.38
TPSA198.63 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.71
LogP ≤ 57.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 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

7-fluoro-2H-indazole-3-carboxylic acid;2-(7-fluoro-2H-indazol-3-yl)propan-2-ol;methyl 7-fluoro-2H-indazole-3-carboxylate
CID 157361793
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(C)c1n[nH]c2c(F)cccc12.CC(=O)c1[nH]nc2c(F)cccc12.CON(C)C(=O)c1[nH]nc2c(F)cccc12.O=C(O)c1[nH]nc2c(F)cccc12.
What is the InChIKey of 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?
The InChIKey is BTEOEOYKDYDZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2.C10H9FN2.C9H7FN2O.C8H5FN2O2/c1-14(16-2)10(15)9-6-4-3-5-7(11)8(6)12-13-9;1-6(2)9-7-4-3-5-8(11)10(7)13-12-9;1-5(13)8-6-3-2-4-7(10)9(6)12-11-8;9-5-3-1-2-4-6(5)10-11-7(4)8(12)13/h3-5H,1-2H3,(H,12,13);3-5H,1H2,2H3,(H,12,13);2-4H,1H3,(H,11,12);1-3H,(H,10,11)(H,12,13).
What are the key properties of 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?
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 has a molecular weight of 757.71 g/mol, XLogP of 7.38, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157454492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).