N-[6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

C20H17F2N3O2 — CID 72628362

IUPACN-[6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cc2c(C=Cc3cccc(F)c3)n[nH]c2cc1F)C1(CO)CC1
InChIInChI=1S/C20H17F2N3O2/c21-13-3-1-2-12(8-13)4-5-16-14-9-18(15(22)10-17(14)25-24-16)23-19(27)20(11-26)6-7-20/h1-5,8-10,26H,6-7,11H2,(H,23,27)(H,24,25)
InChIKeySXSJIIOHUSWAGD-UHFFFAOYSA-N
MW369.37 g/mol
LogP3.72
Rot. Bonds5

About N-[6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide

N-[6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (PubChem CID 72628362) has the molecular formula C20H17F2N3O2 and a molecular weight of 369.37 g/mol. Its IUPAC name is N-[6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
PubChem CID72628362
Molecular FormulaC20H17F2N3O2
Molecular Weight369.37 g/mol
Exact Mass369.13
IUPAC NameN-[6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cc2c(C=Cc3cccc(F)c3)n[nH]c2cc1F)C1(CO)CC1
InChIInChI=1S/C20H17F2N3O2/c21-13-3-1-2-12(8-13)4-5-16-14-9-18(15(22)10-17(14)25-24-16)23-19(27)20(11-26)6-7-20/h1-5,8-10,26H,6-7,11H2,(H,23,27)(H,24,25)
InChIKeySXSJIIOHUSWAGD-UHFFFAOYSA-N
XLogP3.72
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(3-(2-phenylcyclopropyl)-1H-indazol-5-yl)acetamide
CID 16070056
2-phenyl-N-(3-styryl-1H-indazol-5-yl)acetamide
CID 46886304
N-(3-phenethyl-1H-indazol-5-yl)-2-phenylacetamide
CID 46886303
N-[3-(4-Fluorophenyl)-1H-indazol-5-yl]acetamide
CID 110459272
N-[2-(6-fluoro-1H-indazol-3-yl)phenyl]propanamide
CID 164612500
N-(3-phenyl-1H-indazol-5-yl)acetamide
CID 22479951
4-[3-(1H-indazol-3-yl)anilino]-4-oxobutanoic acid
CID 134157511
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]cyclopropanecarboxamide
CID 20789107
N-[7-fluoro-3-(3-fluorophenyl)-2H-indazol-5-yl]acetamide
CID 22260697
N-(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)-3-methoxypropanamide
CID 22260760
3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide
CID 22260857
N-[3-(3-fluorophenyl)-7-methyl-2H-indazol-5-yl]acetamide
CID 22260900

Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide (CID 72628362) is N-[6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is O=C(Nc1cc2c(C=Cc3cccc(F)c3)n[nH]c2cc1F)C1(CO)CC1.
What is the InChIKey of N-[6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
The InChIKey is SXSJIIOHUSWAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O2/c21-13-3-1-2-12(8-13)4-5-16-14-9-18(15(22)10-17(14)25-24-16)23-19(27)20(11-26)6-7-20/h1-5,8-10,26H,6-7,11H2,(H,23,27)(H,24,25).
What are the key properties of N-[6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide?
N-[6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-[2-(3-fluorophenyl)ethenyl]-1H-indazol-5-yl]-1-(hydroxymethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 72628362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).