5-(2,3-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide

C18H18F2N4O — CID 118381250

IUPAC5-(2,3-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12
InChIInChI=1S/C18H18F2N4O/c1-24(2)9-8-21-18(25)17-13-10-11(6-7-15(13)22-23-17)12-4-3-5-14(19)16(12)20/h3-7,10H,8-9H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyFKZRJRZJHVTAKK-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.80
Rot. Bonds5

About 5-(2,3-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide

5-(2,3-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide (PubChem CID 118381250) has the molecular formula C18H18F2N4O and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide
PubChem CID118381250
Molecular FormulaC18H18F2N4O
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name5-(2,3-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12
InChIInChI=1S/C18H18F2N4O/c1-24(2)9-8-21-18(25)17-13-10-11(6-7-15(13)22-23-17)12-4-3-5-14(19)16(12)20/h3-7,10H,8-9H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyFKZRJRZJHVTAKK-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2,3-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide (CID 118381250) is 5-(2,3-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2,3-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide is CN(C)CCNC(=O)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12.
What is the InChIKey of 5-(2,3-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide?
The InChIKey is FKZRJRZJHVTAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4O/c1-24(2)9-8-21-18(25)17-13-10-11(6-7-15(13)22-23-17)12-4-3-5-14(19)16(12)20/h3-7,10H,8-9H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 5-(2,3-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide?
5-(2,3-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-N-[2-(dimethylamino)ethyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).