N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide

C18H19FN4O2 — CID 135617784

IUPACN-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1O
InChIInChI=1S/C18H19FN4O2/c1-23(2)7-6-20-18(25)14-9-13-15(10-16(14)24)21-22-17(13)11-4-3-5-12(19)8-11/h3-5,8-10,24H,6-7H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyKAPXSYVCABIXGG-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.37
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide (PubChem CID 135617784) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide
PubChem CID135617784
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1O
InChIInChI=1S/C18H19FN4O2/c1-23(2)7-6-20-18(25)14-9-13-15(10-16(14)24)21-22-17(13)11-4-3-5-12(19)8-11/h3-5,8-10,24H,6-7H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyKAPXSYVCABIXGG-UHFFFAOYSA-N
XLogP2.37
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-6-methyl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 23589685
3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide
CID 22260857
3-(dimethylamino)-N-[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]propanamide
CID 22260925
3-(3-fluorophenyl)-N-(5-hydroxy-3-methylpentyl)-1H-indazole-5-carboxamide
CID 175236372
3-(3-fluorophenyl)-N-(2-hydroxy-1-phenylethyl)-6-methyl-1H-indazole-5-carboxamide
CID 23589708
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
methyl 3-(3-fluorophenyl)-1H-indazole-5-carboxylate
CID 22260721
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]pyridine-3-carboxamide
CID 22260966
2-chloro-N-[2-(dimethylamino)ethyl]-4-fluorobenzamide
CID 6465941
2-[3-(3-fluorophenyl)-1H-indazol-5-yl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22260918
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824388

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide (CID 135617784) is N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide is CN(C)CCNC(=O)c1cc2c(-c3cccc(F)c3)n[nH]c2cc1O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide?
The InChIKey is KAPXSYVCABIXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-23(2)7-6-20-18(25)14-9-13-15(10-16(14)24)21-22-17(13)11-4-3-5-12(19)8-11/h3-5,8-10,24H,6-7H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-6-hydroxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 135617784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).