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

C23H26F2N4O — CID 118381236

IUPAC5-(2,3-difluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
SMILESCC(C)CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1
InChIInChI=1S/C23H26F2N4O/c1-14(2)13-29-10-8-16(9-11-29)26-23(30)22-18-12-15(6-7-20(18)27-28-22)17-4-3-5-19(24)21(17)25/h3-7,12,14,16H,8-11,13H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyIPBVMBFTMMTZPK-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.36
Rot. Bonds5

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

5-(2,3-difluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide (PubChem CID 118381236) has the molecular formula C23H26F2N4O and a molecular weight of 412.48 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
PubChem CID118381236
Molecular FormulaC23H26F2N4O
Molecular Weight412.48 g/mol
Exact Mass412.21
IUPAC Name5-(2,3-difluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
SMILESCC(C)CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1
InChIInChI=1S/C23H26F2N4O/c1-14(2)13-29-10-8-16(9-11-29)26-23(30)22-18-12-15(6-7-20(18)27-28-22)17-4-3-5-19(24)21(17)25/h3-7,12,14,16H,8-11,13H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyIPBVMBFTMMTZPK-UHFFFAOYSA-N
XLogP4.36
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.36
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-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2,3-difluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide (CID 118381236) is 5-(2,3-difluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-difluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2,3-difluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide is CC(C)CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1.
What is the InChIKey of 5-(2,3-difluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is IPBVMBFTMMTZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O/c1-14(2)13-29-10-8-16(9-11-29)26-23(30)22-18-12-15(6-7-20(18)27-28-22)17-4-3-5-19(24)21(17)25/h3-7,12,14,16H,8-11,13H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 5-(2,3-difluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide?
5-(2,3-difluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 4.36, 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-[1-(2-methylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).