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

C19H20F2N4O — CID 118381156

IUPAC5-(2,3-difluorophenyl)-N-[3-(dimethylamino)propyl]-1H-indazole-3-carboxamide
SMILESCN(C)CCCNC(=O)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12
InChIInChI=1S/C19H20F2N4O/c1-25(2)10-4-9-22-19(26)18-14-11-12(7-8-16(14)23-24-18)13-5-3-6-15(20)17(13)21/h3,5-8,11H,4,9-10H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyXNIAMEKLYUQHFK-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.19
Rot. Bonds6

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

5-(2,3-difluorophenyl)-N-[3-(dimethylamino)propyl]-1H-indazole-3-carboxamide (PubChem CID 118381156) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-N-[3-(dimethylamino)propyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-N-[3-(dimethylamino)propyl]-1H-indazole-3-carboxamide
PubChem CID118381156
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name5-(2,3-difluorophenyl)-N-[3-(dimethylamino)propyl]-1H-indazole-3-carboxamide
SMILESCN(C)CCCNC(=O)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12
InChIInChI=1S/C19H20F2N4O/c1-25(2)10-4-9-22-19(26)18-14-11-12(7-8-16(14)23-24-18)13-5-3-6-15(20)17(13)21/h3,5-8,11H,4,9-10H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyXNIAMEKLYUQHFK-UHFFFAOYSA-N
XLogP3.19
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-N-[3-(dimethylamino)propyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2,3-difluorophenyl)-N-[3-(dimethylamino)propyl]-1H-indazole-3-carboxamide (CID 118381156) is 5-(2,3-difluorophenyl)-N-[3-(dimethylamino)propyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-difluorophenyl)-N-[3-(dimethylamino)propyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2,3-difluorophenyl)-N-[3-(dimethylamino)propyl]-1H-indazole-3-carboxamide is CN(C)CCCNC(=O)c1n[nH]c2ccc(-c3cccc(F)c3F)cc12.
What is the InChIKey of 5-(2,3-difluorophenyl)-N-[3-(dimethylamino)propyl]-1H-indazole-3-carboxamide?
The InChIKey is XNIAMEKLYUQHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O/c1-25(2)10-4-9-22-19(26)18-14-11-12(7-8-16(14)23-24-18)13-5-3-6-15(20)17(13)21/h3,5-8,11H,4,9-10H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of 5-(2,3-difluorophenyl)-N-[3-(dimethylamino)propyl]-1H-indazole-3-carboxamide?
5-(2,3-difluorophenyl)-N-[3-(dimethylamino)propyl]-1H-indazole-3-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 3.19, 6 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-[3-(dimethylamino)propyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).