2,4-difluoro-N-(1H-indazol-6-yl)-5-piperazin-1-ylbenzamide

C18H17F2N5O — CID 501351

IUPAC2,4-difluoro-N-(1H-indazol-6-yl)-5-piperazin-1-ylbenzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cc(N2CCNCC2)c(F)cc1F
InChIInChI=1S/C18H17F2N5O/c19-14-9-15(20)17(25-5-3-21-4-6-25)8-13(14)18(26)23-12-2-1-11-10-22-24-16(11)7-12/h1-2,7-10,21H,3-6H2,(H,22,24)(H,23,26)
InChIKeyQGSWSNQFJIQULG-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.50
Rot. Bonds3

About 2,4-difluoro-N-(1H-indazol-6-yl)-5-piperazin-1-ylbenzamide

2,4-difluoro-N-(1H-indazol-6-yl)-5-piperazin-1-ylbenzamide (PubChem CID 501351) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is 2,4-difluoro-N-(1H-indazol-6-yl)-5-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(1H-indazol-6-yl)-5-piperazin-1-ylbenzamide
PubChem CID501351
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC Name2,4-difluoro-N-(1H-indazol-6-yl)-5-piperazin-1-ylbenzamide
SMILESO=C(Nc1ccc2cn[nH]c2c1)c1cc(N2CCNCC2)c(F)cc1F
InChIInChI=1S/C18H17F2N5O/c19-14-9-15(20)17(25-5-3-21-4-6-25)8-13(14)18(26)23-12-2-1-11-10-22-24-16(11)7-12/h1-2,7-10,21H,3-6H2,(H,22,24)(H,23,26)
InChIKeyQGSWSNQFJIQULG-UHFFFAOYSA-N
XLogP2.50
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(1H-indazol-6-yl)-5-piperazin-1-ylbenzamide?
The IUPAC name of 2,4-difluoro-N-(1H-indazol-6-yl)-5-piperazin-1-ylbenzamide (CID 501351) is 2,4-difluoro-N-(1H-indazol-6-yl)-5-piperazin-1-ylbenzamide.
What is the SMILES notation for 2,4-difluoro-N-(1H-indazol-6-yl)-5-piperazin-1-ylbenzamide?
The canonical SMILES for 2,4-difluoro-N-(1H-indazol-6-yl)-5-piperazin-1-ylbenzamide is O=C(Nc1ccc2cn[nH]c2c1)c1cc(N2CCNCC2)c(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(1H-indazol-6-yl)-5-piperazin-1-ylbenzamide?
The InChIKey is QGSWSNQFJIQULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O/c19-14-9-15(20)17(25-5-3-21-4-6-25)8-13(14)18(26)23-12-2-1-11-10-22-24-16(11)7-12/h1-2,7-10,21H,3-6H2,(H,22,24)(H,23,26).
What are the key properties of 2,4-difluoro-N-(1H-indazol-6-yl)-5-piperazin-1-ylbenzamide?
2,4-difluoro-N-(1H-indazol-6-yl)-5-piperazin-1-ylbenzamide has a molecular weight of 357.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(1H-indazol-6-yl)-5-piperazin-1-ylbenzamide is sourced from PubChem (CID 501351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).