3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide

C18H18F2N4O — CID 22260857

IUPAC3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide
SMILESCN(C)CCC(=O)Nc1cc2c(-c3cccc(F)c3)n[nH]c2cc1F
InChIInChI=1S/C18H18F2N4O/c1-24(2)7-6-17(25)21-16-9-13-15(10-14(16)20)22-23-18(13)11-4-3-5-12(19)8-11/h3-5,8-10H,6-7H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyAMQVFWXYZMYGTM-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.40
Rot. Bonds5

About 3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide

3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide (PubChem CID 22260857) has the molecular formula C18H18F2N4O and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide
PubChem CID22260857
Molecular FormulaC18H18F2N4O
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide
SMILESCN(C)CCC(=O)Nc1cc2c(-c3cccc(F)c3)n[nH]c2cc1F
InChIInChI=1S/C18H18F2N4O/c1-24(2)7-6-17(25)21-16-9-13-15(10-14(16)20)22-23-18(13)11-4-3-5-12(19)8-11/h3-5,8-10H,6-7H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyAMQVFWXYZMYGTM-UHFFFAOYSA-N
XLogP3.40
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide (CID 22260857) is 3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide is CN(C)CCC(=O)Nc1cc2c(-c3cccc(F)c3)n[nH]c2cc1F.
What is the InChIKey of 3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide?
The InChIKey is AMQVFWXYZMYGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O/c1-24(2)7-6-17(25)21-16-9-13-15(10-14(16)20)22-23-18(13)11-4-3-5-12(19)8-11/h3-5,8-10H,6-7H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide?
3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide has a molecular weight of 344.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]propanamide is sourced from PubChem (CID 22260857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).