5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide

C25H24F3N7O2 — CID 89451213

IUPAC5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide
SMILESNN(C(=O)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C25H24F3N7O2/c26-25(27,28)22-4-2-18(13-31-22)35(29)24(37)23-20-10-16(1-3-21(20)32-33-23)17-9-15(11-30-12-17)14-34-7-5-19(36)6-8-34/h1-4,9-13,19,36H,5-8,14,29H2,(H,32,33)
InChIKeyISIKFQMGKIFYSI-UHFFFAOYSA-N
MW511.51 g/mol
LogP3.52
Rot. Bonds5

About 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide

5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide (PubChem CID 89451213) has the molecular formula C25H24F3N7O2 and a molecular weight of 511.51 g/mol. Its IUPAC name is 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide.

Molecular Properties

Compound Name5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide
PubChem CID89451213
Molecular FormulaC25H24F3N7O2
Molecular Weight511.51 g/mol
Exact Mass511.19
IUPAC Name5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide
SMILESNN(C(=O)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C25H24F3N7O2/c26-25(27,28)22-4-2-18(13-31-22)35(29)24(37)23-20-10-16(1-3-21(20)32-33-23)17-9-15(11-30-12-17)14-34-7-5-19(36)6-8-34/h1-4,9-13,19,36H,5-8,14,29H2,(H,32,33)
InChIKeyISIKFQMGKIFYSI-UHFFFAOYSA-N
XLogP3.52
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.51
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide?
The IUPAC name of 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide (CID 89451213) is 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide.
What is the SMILES notation for 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide?
The canonical SMILES for 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide is NN(C(=O)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide?
The InChIKey is ISIKFQMGKIFYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7O2/c26-25(27,28)22-4-2-18(13-31-22)35(29)24(37)23-20-10-16(1-3-21(20)32-33-23)17-9-15(11-30-12-17)14-34-7-5-19(36)6-8-34/h1-4,9-13,19,36H,5-8,14,29H2,(H,32,33).
What are the key properties of 5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide?
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide has a molecular weight of 511.51 g/mol, XLogP of 3.52, 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-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carbohydrazide is sourced from PubChem (CID 89451213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).