2,4-difluoro-5-(4-hydroxypiperidin-1-yl)-N-(1H-indazol-6-yl)benzamide

C19H18F2N4O2 — CID 501355

IUPAC2,4-difluoro-5-(4-hydroxypiperidin-1-yl)-N-(1H-indazol-6-yl)benzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cc(N2CCC(O)CC2)c(F)cc1F
InChIInChI=1S/C19H18F2N4O2/c20-15-9-16(21)18(25-5-3-13(26)4-6-25)8-14(15)19(27)23-12-2-1-11-10-22-24-17(11)7-12/h1-2,7-10,13,26H,3-6H2,(H,22,24)(H,23,27)
InChIKeySWJQJYMDBSWURG-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.05
Rot. Bonds3

About 2,4-difluoro-5-(4-hydroxypiperidin-1-yl)-N-(1H-indazol-6-yl)benzamide

2,4-difluoro-5-(4-hydroxypiperidin-1-yl)-N-(1H-indazol-6-yl)benzamide (PubChem CID 501355) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2,4-difluoro-5-(4-hydroxypiperidin-1-yl)-N-(1H-indazol-6-yl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-5-(4-hydroxypiperidin-1-yl)-N-(1H-indazol-6-yl)benzamide
PubChem CID501355
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name2,4-difluoro-5-(4-hydroxypiperidin-1-yl)-N-(1H-indazol-6-yl)benzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cc(N2CCC(O)CC2)c(F)cc1F
InChIInChI=1S/C19H18F2N4O2/c20-15-9-16(21)18(25-5-3-13(26)4-6-25)8-14(15)19(27)23-12-2-1-11-10-22-24-17(11)7-12/h1-2,7-10,13,26H,3-6H2,(H,22,24)(H,23,27)
InChIKeySWJQJYMDBSWURG-UHFFFAOYSA-N
XLogP3.05
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-(4-hydroxypiperidin-1-yl)-N-(1H-indazol-6-yl)benzamide?
The IUPAC name of 2,4-difluoro-5-(4-hydroxypiperidin-1-yl)-N-(1H-indazol-6-yl)benzamide (CID 501355) is 2,4-difluoro-5-(4-hydroxypiperidin-1-yl)-N-(1H-indazol-6-yl)benzamide.
What is the SMILES notation for 2,4-difluoro-5-(4-hydroxypiperidin-1-yl)-N-(1H-indazol-6-yl)benzamide?
The canonical SMILES for 2,4-difluoro-5-(4-hydroxypiperidin-1-yl)-N-(1H-indazol-6-yl)benzamide is O=C(Nc1ccc2cn[nH]c2c1)c1cc(N2CCC(O)CC2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-5-(4-hydroxypiperidin-1-yl)-N-(1H-indazol-6-yl)benzamide?
The InChIKey is SWJQJYMDBSWURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c20-15-9-16(21)18(25-5-3-13(26)4-6-25)8-14(15)19(27)23-12-2-1-11-10-22-24-17(11)7-12/h1-2,7-10,13,26H,3-6H2,(H,22,24)(H,23,27).
What are the key properties of 2,4-difluoro-5-(4-hydroxypiperidin-1-yl)-N-(1H-indazol-6-yl)benzamide?
2,4-difluoro-5-(4-hydroxypiperidin-1-yl)-N-(1H-indazol-6-yl)benzamide has a molecular weight of 372.38 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-5-(4-hydroxypiperidin-1-yl)-N-(1H-indazol-6-yl)benzamide is sourced from PubChem (CID 501355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).