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

C19H19F2N5O — CID 501352

IUPAC2,4-difluoro-N-(1H-indazol-5-yl)-5-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2cc(C(=O)Nc3ccc4[nH]ncc4c3)c(F)cc2F)CC1
InChIInChI=1S/C19H19F2N5O/c1-25-4-6-26(7-5-25)18-9-14(15(20)10-16(18)21)19(27)23-13-2-3-17-12(8-13)11-22-24-17/h2-3,8-11H,4-7H2,1H3,(H,22,24)(H,23,27)
InChIKeyHPFQAJQWLLYVOP-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.85
Rot. Bonds3

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

2,4-difluoro-N-(1H-indazol-5-yl)-5-(4-methylpiperazin-1-yl)benzamide (PubChem CID 501352) has the molecular formula C19H19F2N5O and a molecular weight of 371.39 g/mol. Its IUPAC name is 2,4-difluoro-N-(1H-indazol-5-yl)-5-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-(1H-indazol-5-yl)-5-(4-methylpiperazin-1-yl)benzamide
PubChem CID501352
Molecular FormulaC19H19F2N5O
Molecular Weight371.39 g/mol
Exact Mass371.16
IUPAC Name2,4-difluoro-N-(1H-indazol-5-yl)-5-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2cc(C(=O)Nc3ccc4[nH]ncc4c3)c(F)cc2F)CC1
InChIInChI=1S/C19H19F2N5O/c1-25-4-6-26(7-5-25)18-9-14(15(20)10-16(18)21)19(27)23-13-2-3-17-12(8-13)11-22-24-17/h2-3,8-11H,4-7H2,1H3,(H,22,24)(H,23,27)
InChIKeyHPFQAJQWLLYVOP-UHFFFAOYSA-N
XLogP2.85
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(1H-indazol-5-yl)-5-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 2,4-difluoro-N-(1H-indazol-5-yl)-5-(4-methylpiperazin-1-yl)benzamide (CID 501352) is 2,4-difluoro-N-(1H-indazol-5-yl)-5-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 2,4-difluoro-N-(1H-indazol-5-yl)-5-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 2,4-difluoro-N-(1H-indazol-5-yl)-5-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2cc(C(=O)Nc3ccc4[nH]ncc4c3)c(F)cc2F)CC1.
What is the InChIKey of 2,4-difluoro-N-(1H-indazol-5-yl)-5-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is HPFQAJQWLLYVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O/c1-25-4-6-26(7-5-25)18-9-14(15(20)10-16(18)21)19(27)23-13-2-3-17-12(8-13)11-22-24-17/h2-3,8-11H,4-7H2,1H3,(H,22,24)(H,23,27).
What are the key properties of 2,4-difluoro-N-(1H-indazol-5-yl)-5-(4-methylpiperazin-1-yl)benzamide?
2,4-difluoro-N-(1H-indazol-5-yl)-5-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 371.39 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(1H-indazol-5-yl)-5-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 501352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).