N-(6-ethenyl-1-hydroxycyclohexa-2,4-dien-1-yl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide

C22H18FN3O2 — CID 174425958

IUPACN-(6-ethenyl-1-hydroxycyclohexa-2,4-dien-1-yl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide
SMILESC=CC1C=CC=CC1(O)NC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1
InChIInChI=1S/C22H18FN3O2/c1-2-16-7-3-4-11-22(16,28)24-21(27)15-9-10-19-18(13-15)20(26-25-19)14-6-5-8-17(23)12-14/h2-13,16,28H,1H2,(H,24,27)(H,25,26)
InChIKeyBWIVOBNHMVIVCZ-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.72
Rot. Bonds4

About N-(6-ethenyl-1-hydroxycyclohexa-2,4-dien-1-yl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide

N-(6-ethenyl-1-hydroxycyclohexa-2,4-dien-1-yl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide (PubChem CID 174425958) has the molecular formula C22H18FN3O2 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-(6-ethenyl-1-hydroxycyclohexa-2,4-dien-1-yl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-ethenyl-1-hydroxycyclohexa-2,4-dien-1-yl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide
PubChem CID174425958
Molecular FormulaC22H18FN3O2
Molecular Weight375.40 g/mol
Exact Mass375.14
IUPAC NameN-(6-ethenyl-1-hydroxycyclohexa-2,4-dien-1-yl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide
SMILESC=CC1C=CC=CC1(O)NC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1
InChIInChI=1S/C22H18FN3O2/c1-2-16-7-3-4-11-22(16,28)24-21(27)15-9-10-19-18(13-15)20(26-25-19)14-6-5-8-17(23)12-14/h2-13,16,28H,1H2,(H,24,27)(H,25,26)
InChIKeyBWIVOBNHMVIVCZ-UHFFFAOYSA-N
XLogP3.72
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
CID 22260721
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N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide
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2-[5-[(2E,4Z)-5-ethylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
CID 145252154
N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide
CID 135617784
3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide
CID 20789056
3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide
CID 23589708
3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-1H-indazole-6-carboxamide
CID 22260682
N-(3-chlorophenyl)-3-phenyl-1H-indazole-5-carboxamide
CID 162666626
N-[3-(3-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]acetamide
CID 59797169
3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide
CID 22261045
N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]pyridine-3-carboxamide
CID 22260966

Frequently Asked Questions

What is the IUPAC name of N-(6-ethenyl-1-hydroxycyclohexa-2,4-dien-1-yl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide?
The IUPAC name of N-(6-ethenyl-1-hydroxycyclohexa-2,4-dien-1-yl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide (CID 174425958) is N-(6-ethenyl-1-hydroxycyclohexa-2,4-dien-1-yl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(6-ethenyl-1-hydroxycyclohexa-2,4-dien-1-yl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-(6-ethenyl-1-hydroxycyclohexa-2,4-dien-1-yl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide is C=CC1C=CC=CC1(O)NC(=O)c1ccc2[nH]nc(-c3cccc(F)c3)c2c1.
What is the InChIKey of N-(6-ethenyl-1-hydroxycyclohexa-2,4-dien-1-yl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide?
The InChIKey is BWIVOBNHMVIVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O2/c1-2-16-7-3-4-11-22(16,28)24-21(27)15-9-10-19-18(13-15)20(26-25-19)14-6-5-8-17(23)12-14/h2-13,16,28H,1H2,(H,24,27)(H,25,26).
What are the key properties of N-(6-ethenyl-1-hydroxycyclohexa-2,4-dien-1-yl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide?
N-(6-ethenyl-1-hydroxycyclohexa-2,4-dien-1-yl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethenyl-1-hydroxycyclohexa-2,4-dien-1-yl)-3-(3-fluorophenyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 174425958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).