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

C25H23F3N6O2 — CID 118382104

IUPAC5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cncc(C(F)(F)F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C25H23F3N6O2/c26-25(27,28)18-9-19(13-30-12-18)31-24(36)23-21-8-16(1-2-22(21)32-33-23)17-7-15(10-29-11-17)14-34-5-3-20(35)4-6-34/h1-2,7-13,20,35H,3-6,14H2,(H,31,36)(H,32,33)
InChIKeyCEGXOSXKYZPQTG-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.25
Rot. Bonds5

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

5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382104) has the molecular formula C25H23F3N6O2 and a molecular weight of 496.49 g/mol. Its IUPAC name is 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID118382104
Molecular FormulaC25H23F3N6O2
Molecular Weight496.49 g/mol
Exact Mass496.18
IUPAC Name5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1cncc(C(F)(F)F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12
InChIInChI=1S/C25H23F3N6O2/c26-25(27,28)18-9-19(13-30-12-18)31-24(36)23-21-8-16(1-2-22(21)32-33-23)17-7-15(10-29-11-17)14-34-5-3-20(35)4-6-34/h1-2,7-13,20,35H,3-6,14H2,(H,31,36)(H,32,33)
InChIKeyCEGXOSXKYZPQTG-UHFFFAOYSA-N
XLogP4.25
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118382104) is 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1cncc(C(F)(F)F)c1)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)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is CEGXOSXKYZPQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O2/c26-25(27,28)18-9-19(13-30-12-18)31-24(36)23-21-8-16(1-2-22(21)32-33-23)17-7-15(10-29-11-17)14-34-5-3-20(35)4-6-34/h1-2,7-13,20,35H,3-6,14H2,(H,31,36)(H,32,33).
What are the key properties of 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 496.49 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).