5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide

C25H23F2N5O2 — CID 89459109

IUPAC5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12
InChIInChI=1S/C25H23F2N5O2/c26-25(27)7-9-32(10-8-25)15-16-11-18(14-28-13-16)17-1-6-22-21(12-17)23(31-30-22)24(34)29-19-2-4-20(33)5-3-19/h1-6,11-14,33H,7-10,15H2,(H,29,34)(H,30,31)
InChIKeyJXWMVEJUTHAWFW-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.81
Rot. Bonds5

About 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide

5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide (PubChem CID 89459109) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide
PubChem CID89459109
Molecular FormulaC25H23F2N5O2
Molecular Weight463.49 g/mol
Exact Mass463.18
IUPAC Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12
InChIInChI=1S/C25H23F2N5O2/c26-25(27)7-9-32(10-8-25)15-16-11-18(14-28-13-16)17-1-6-22-21(12-17)23(31-30-22)24(34)29-19-2-4-20(33)5-3-19/h1-6,11-14,33H,7-10,15H2,(H,29,34)(H,30,31)
InChIKeyJXWMVEJUTHAWFW-UHFFFAOYSA-N
XLogP4.81
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide (CID 89459109) is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(O)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.
What is the InChIKey of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide?
The InChIKey is JXWMVEJUTHAWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2/c26-25(27)7-9-32(10-8-25)15-16-11-18(14-28-13-16)17-1-6-22-21(12-17)23(31-30-22)24(34)29-19-2-4-20(33)5-3-19/h1-6,11-14,33H,7-10,15H2,(H,29,34)(H,30,31).
What are the key properties of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide?
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide has a molecular weight of 463.49 g/mol, XLogP of 4.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89459109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).