5-(2,3-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide

C20H20F2N4O — CID 118381096

IUPAC5-(2,3-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1
InChIInChI=1S/C20H20F2N4O/c1-26-9-7-13(8-10-26)23-20(27)19-15-11-12(5-6-17(15)24-25-19)14-3-2-4-16(21)18(14)22/h2-6,11,13H,7-10H2,1H3,(H,23,27)(H,24,25)
InChIKeyBLBHPRNNBWUXDY-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.33
Rot. Bonds3

About 5-(2,3-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide

5-(2,3-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide (PubChem CID 118381096) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
PubChem CID118381096
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC Name5-(2,3-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1
InChIInChI=1S/C20H20F2N4O/c1-26-9-7-13(8-10-26)23-20(27)19-15-11-12(5-6-17(15)24-25-19)14-3-2-4-16(21)18(14)22/h2-6,11,13H,7-10H2,1H3,(H,23,27)(H,24,25)
InChIKeyBLBHPRNNBWUXDY-UHFFFAOYSA-N
XLogP3.33
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.33
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-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2,3-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide (CID 118381096) is 5-(2,3-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2,3-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide is CN1CCC(NC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1.
What is the InChIKey of 5-(2,3-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is BLBHPRNNBWUXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-26-9-7-13(8-10-26)23-20(27)19-15-11-12(5-6-17(15)24-25-19)14-3-2-4-16(21)18(14)22/h2-6,11,13H,7-10H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 5-(2,3-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide?
5-(2,3-difluorophenyl)-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 370.40 g/mol, XLogP of 3.33, 3 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-methylpiperidin-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).