5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide

C23H26F2N4O2 — CID 71680628

IUPAC5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1
InChIInChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28)
InChIKeyQCLXNOBXQUWUEW-UHFFFAOYSA-N
MW428.48 g/mol
LogP3.60
Rot. Bonds7

About 5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide

5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (PubChem CID 71680628) has the molecular formula C23H26F2N4O2 and a molecular weight of 428.48 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
PubChem CID71680628
Molecular FormulaC23H26F2N4O2
Molecular Weight428.48 g/mol
Exact Mass428.20
IUPAC Name5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1
InChIInChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28)
InChIKeyQCLXNOBXQUWUEW-UHFFFAOYSA-N
XLogP3.60
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide with MolForge

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Related Compounds

Kw-2449
CID 11427553
Facinicline
CID 9970357
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(1H-indazol-3-yl)ethane-1,2-dione
CID 6481410
Cumyl-inaca
CID 117645167
N-(2-methoxyethyl)-1H-indazole-3-carboxamide
CID 2595305
1H-indazol-3-yl(morpholin-4-yl)methanone
CID 1505879
N-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]methyl]-5-methyl-1H-indazole-3-carboxamide
CID 9889536
4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-indazol-5-yl]-benzamide
CID 9950390
1H-Indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide
CID 10062433
[4-[2-(1H-indazol-3-yl)ethenyl]phenyl]-(1-piperazinyl)methanone
CID 67089852
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(pyridin-3-yl)-1H-indazole-3-carboxamide
CID 71714628
5-(2-fluorophenyl)-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-1H-indazole-3-carboxamide
CID 71714649

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide (CID 71680628) is 5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1.
What is the InChIKey of 5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
The InChIKey is QCLXNOBXQUWUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O2/c1-31-12-11-29-9-7-15(8-10-29)14-26-23(30)22-18-13-16(5-6-20(18)27-28-22)17-3-2-4-19(24)21(17)25/h2-6,13,15H,7-12,14H2,1H3,(H,26,30)(H,27,28).
What are the key properties of 5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide?
5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide has a molecular weight of 428.48 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluorophenyl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 71680628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).