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

C22H24F2N4O — CID 118381175

IUPAC5-(2,3-difluorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1
InChIInChI=1S/C22H24F2N4O/c1-13(2)28-10-8-15(9-11-28)25-22(29)21-17-12-14(6-7-19(17)26-27-21)16-4-3-5-18(23)20(16)24/h3-7,12-13,15H,8-11H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyRIYGQNJQXMRIQK-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.11
Rot. Bonds4

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

5-(2,3-difluorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide (PubChem CID 118381175) has the molecular formula C22H24F2N4O and a molecular weight of 398.46 g/mol. Its IUPAC name is 5-(2,3-difluorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-difluorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
PubChem CID118381175
Molecular FormulaC22H24F2N4O
Molecular Weight398.46 g/mol
Exact Mass398.19
IUPAC Name5-(2,3-difluorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1
InChIInChI=1S/C22H24F2N4O/c1-13(2)28-10-8-15(9-11-28)25-22(29)21-17-12-14(6-7-19(17)26-27-21)16-4-3-5-18(23)20(16)24/h3-7,12-13,15H,8-11H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyRIYGQNJQXMRIQK-UHFFFAOYSA-N
XLogP4.11
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.11
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-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2,3-difluorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide (CID 118381175) is 5-(2,3-difluorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2,3-difluorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2,3-difluorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide is CC(C)N1CCC(NC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1.
What is the InChIKey of 5-(2,3-difluorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is RIYGQNJQXMRIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O/c1-13(2)28-10-8-15(9-11-28)25-22(29)21-17-12-14(6-7-19(17)26-27-21)16-4-3-5-18(23)20(16)24/h3-7,12-13,15H,8-11H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 5-(2,3-difluorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide?
5-(2,3-difluorophenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 4.11, 4 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-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).