2-amino-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide

C26H26F2N6O — CID 172791698

IUPAC2-amino-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2cccc(C(=O)Nn3ncc4cc(Cc5cc(F)cc(F)c5)ccc43)c2N)CC1
InChIInChI=1S/C26H26F2N6O/c1-32-7-9-33(10-8-32)24-4-2-3-22(25(24)29)26(35)31-34-23-6-5-17(12-19(23)16-30-34)11-18-13-20(27)15-21(28)14-18/h2-6,12-16H,7-11,29H2,1H3,(H,31,35)
InChIKeyPQPNFQCBPYFTBC-UHFFFAOYSA-N
MW476.53 g/mol
LogP3.62
Rot. Bonds5

About 2-amino-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide

2-amino-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide (PubChem CID 172791698) has the molecular formula C26H26F2N6O and a molecular weight of 476.53 g/mol. Its IUPAC name is 2-amino-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide
PubChem CID172791698
Molecular FormulaC26H26F2N6O
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name2-amino-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2cccc(C(=O)Nn3ncc4cc(Cc5cc(F)cc(F)c5)ccc43)c2N)CC1
InChIInChI=1S/C26H26F2N6O/c1-32-7-9-33(10-8-32)24-4-2-3-22(25(24)29)26(35)31-34-23-6-5-17(12-19(23)16-30-34)11-18-13-20(27)15-21(28)14-18/h2-6,12-16H,7-11,29H2,1H3,(H,31,35)
InChIKeyPQPNFQCBPYFTBC-UHFFFAOYSA-N
XLogP3.62
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexylamino)-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide
CID 172718296
N'-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-N'-[(2R)-1-methoxypropan-2-yl]-2-(4-methylpiperazin-1-yl)benzohydrazide
CID 172788545
2-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]-3-[methyl(2-piperidin-1-ylethyl)amino]benzamide
CID 172710331
N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]-3-[[2-(dimethylamino)acetyl]amino]-2-(4-methylpiperazin-1-yl)benzamide
CID 172705312
N-[5-[1-(3,5-difluorophenyl)propan-2-yl]indazol-1-yl]-3-[3-(methoxymethoxy)propylamino]-2-(4-methylpiperazin-1-yl)benzamide
CID 172711886
N-[2-[[5-(3-fluorophenyl)sulfonylindazol-1-yl]carbamoyl]-3-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 172785203
N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]-2-[(4-hydroxycyclohexyl)amino]-4-(4-methylpiperazin-1-yl)benzamide
CID 172808543
N'-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-N'-[2-(4-methylpiperazin-1-yl)oxan-2-yl]benzohydrazide
CID 172837148
N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]-3-[methyl(2-piperidin-1-ylethyl)amino]-2-nitrobenzamide
CID 172741555
N'-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-N'-[2-(4-methylpiperazin-1-yl)oxan-4-yl]benzohydrazide
CID 172782123
N-[6-[(3,5-difluorophenyl)methyl]-3H-isoindol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide
CID 146955895
3-amino-N-[5-(3,5-difluorophenyl)sulfonylindazol-1-yl]pyridine-4-carboxamide
CID 172806374

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 2-amino-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide (CID 172791698) is 2-amino-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 2-amino-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 2-amino-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2cccc(C(=O)Nn3ncc4cc(Cc5cc(F)cc(F)c5)ccc43)c2N)CC1.
What is the InChIKey of 2-amino-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is PQPNFQCBPYFTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O/c1-32-7-9-33(10-8-32)24-4-2-3-22(25(24)29)26(35)31-34-23-6-5-17(12-19(23)16-30-34)11-18-13-20(27)15-21(28)14-18/h2-6,12-16H,7-11,29H2,1H3,(H,31,35).
What are the key properties of 2-amino-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide?
2-amino-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 476.53 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-[(3,5-difluorophenyl)methyl]indazol-1-yl]-3-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 172791698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).