5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-1H-indazole-3-carboxamide

C24H22F3N7O2 — CID 118382241

IUPAC5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc(C(F)(F)F)cn1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C24H22F3N7O2/c25-24(26,27)20-11-30-21(12-29-20)31-23(36)22-18-8-15(1-2-19(18)32-33-22)16-7-14(9-28-10-16)13-34-5-3-17(35)4-6-34/h1-2,7-12,17,35H,3-6,13H2,(H,32,33)(H,30,31,36)
InChIKeyZDRHMRAFQFIEON-UHFFFAOYSA-N
MW497.48 g/mol
LogP3.64
Rot. Bonds5

About 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-1H-indazole-3-carboxamide

5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-1H-indazole-3-carboxamide (PubChem CID 118382241) has the molecular formula C24H22F3N7O2 and a molecular weight of 497.48 g/mol. Its IUPAC name is 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-1H-indazole-3-carboxamide
PubChem CID118382241
Molecular FormulaC24H22F3N7O2
Molecular Weight497.48 g/mol
Exact Mass497.18
IUPAC Name5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cnc(C(F)(F)F)cn1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C24H22F3N7O2/c25-24(26,27)20-11-30-21(12-29-20)31-23(36)22-18-8-15(1-2-19(18)32-33-22)16-7-14(9-28-10-16)13-34-5-3-17(35)4-6-34/h1-2,7-12,17,35H,3-6,13H2,(H,32,33)(H,30,31,36)
InChIKeyZDRHMRAFQFIEON-UHFFFAOYSA-N
XLogP3.64
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-1H-indazole-3-carboxamide (CID 118382241) is 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-1H-indazole-3-carboxamide is O=C(Nc1cnc(C(F)(F)F)cn1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.
What is the InChIKey of 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is ZDRHMRAFQFIEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O2/c25-24(26,27)20-11-30-21(12-29-20)31-23(36)22-18-8-15(1-2-19(18)32-33-22)16-7-14(9-28-10-16)13-34-5-3-17(35)4-6-34/h1-2,7-12,17,35H,3-6,13H2,(H,32,33)(H,30,31,36).
What are the key properties of 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-1H-indazole-3-carboxamide?
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 497.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)pyrazin-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).