3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide

C18H15FN4O — CID 118382629

IUPAC3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide
SMILESNC(=O)CCn1cc2ccc(-c3c[nH]c4cc(F)ccc34)cc2n1
InChIInChI=1S/C18H15FN4O/c19-13-3-4-14-15(9-21-17(14)8-13)11-1-2-12-10-23(6-5-18(20)24)22-16(12)7-11/h1-4,7-10,21H,5-6H2,(H2,20,24)
InChIKeyOLPSUJVAJPEKSV-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.20
Rot. Bonds4

About 3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide

3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide (PubChem CID 118382629) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide
PubChem CID118382629
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide
SMILESNC(=O)CCn1cc2ccc(-c3c[nH]c4cc(F)ccc34)cc2n1
InChIInChI=1S/C18H15FN4O/c19-13-3-4-14-15(9-21-17(14)8-13)11-1-2-12-10-23(6-5-18(20)24)22-16(12)7-11/h1-4,7-10,21H,5-6H2,(H2,20,24)
InChIKeyOLPSUJVAJPEKSV-UHFFFAOYSA-N
XLogP3.20
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-3H-1,2-benzothiazol-2-yl]propanamide
CID 145155538
4-[[4-(6-fluoro-1H-indol-3-yl)phenyl]sulfamoyl]butanamide
CID 140892882
3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfonylamino]propanamide
CID 126574732
2-[5-(6-fluoro-1H-indol-3-yl)-2-oxo-1,3-benzoxazol-3-yl]acetamide
CID 118382706
1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea
CID 118400715
4-(6-fluoro-1H-indol-3-yl)benzene-1,2-diamine;methane
CID 144924015
2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 118292934
2-[6-(6-fluoro-1H-indol-3-yl)-1H-benzimidazol-2-yl]ethanamine;methane
CID 145044312
tert-butyl-[[5-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]carbamic acid
CID 118382731
3-(1-butylpyrazol-4-yl)-6-fluoro-1H-indole;methane
CID 161404196
ethyl 3-[5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-3H-1,2-benzothiazol-2-yl]propanoate
CID 122529510
3-[5-(6-fluoro-1H-indol-3-yl)-1,1-dihydroxy-3-methyl-3H-1,2-benzothiazol-2-yl]-N-methylpropanamide
CID 122529275

Frequently Asked Questions

What is the IUPAC name of 3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide?
The IUPAC name of 3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide (CID 118382629) is 3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide.
What is the SMILES notation for 3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide?
The canonical SMILES for 3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide is NC(=O)CCn1cc2ccc(-c3c[nH]c4cc(F)ccc34)cc2n1.
What is the InChIKey of 3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide?
The InChIKey is OLPSUJVAJPEKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-13-3-4-14-15(9-21-17(14)8-13)11-1-2-12-10-23(6-5-18(20)24)22-16(12)7-11/h1-4,7-10,21H,5-6H2,(H2,20,24).
What are the key properties of 3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide?
3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide has a molecular weight of 322.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(6-fluoro-1H-indol-3-yl)indazol-2-yl]propanamide is sourced from PubChem (CID 118382629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).