2-fluoro-N-[5-[(3-fluorophenyl)methyl]indazol-1-yl]-3-(oxan-2-ylamino)benzamide

C26H24F2N4O2 — CID 172683255

IUPAC2-fluoro-N-[5-[(3-fluorophenyl)methyl]indazol-1-yl]-3-(oxan-2-ylamino)benzamide
SMILESO=C(Nn1ncc2cc(Cc3cccc(F)c3)ccc21)c1cccc(NC2CCCCO2)c1F
InChIInChI=1S/C26H24F2N4O2/c27-20-6-3-5-17(15-20)13-18-10-11-23-19(14-18)16-29-32(23)31-26(33)21-7-4-8-22(25(21)28)30-24-9-1-2-12-34-24/h3-8,10-11,14-16,24,30H,1-2,9,12-13H2,(H,31,33)
InChIKeyARPKHSFPRDDOSK-UHFFFAOYSA-N
MW462.50 g/mol
LogP5.23
Rot. Bonds6

About 2-fluoro-N-[5-[(3-fluorophenyl)methyl]indazol-1-yl]-3-(oxan-2-ylamino)benzamide

2-fluoro-N-[5-[(3-fluorophenyl)methyl]indazol-1-yl]-3-(oxan-2-ylamino)benzamide (PubChem CID 172683255) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 2-fluoro-N-[5-[(3-fluorophenyl)methyl]indazol-1-yl]-3-(oxan-2-ylamino)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[(3-fluorophenyl)methyl]indazol-1-yl]-3-(oxan-2-ylamino)benzamide
PubChem CID172683255
Molecular FormulaC26H24F2N4O2
Molecular Weight462.50 g/mol
Exact Mass462.19
IUPAC Name2-fluoro-N-[5-[(3-fluorophenyl)methyl]indazol-1-yl]-3-(oxan-2-ylamino)benzamide
SMILESO=C(Nn1ncc2cc(Cc3cccc(F)c3)ccc21)c1cccc(NC2CCCCO2)c1F
InChIInChI=1S/C26H24F2N4O2/c27-20-6-3-5-17(15-20)13-18-10-11-23-19(14-18)16-29-32(23)31-26(33)21-7-4-8-22(25(21)28)30-24-9-1-2-12-34-24/h3-8,10-11,14-16,24,30H,1-2,9,12-13H2,(H,31,33)
InChIKeyARPKHSFPRDDOSK-UHFFFAOYSA-N
XLogP5.23
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.50
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[(3-fluorophenyl)methyl]indazol-1-yl]-3-(oxan-2-ylamino)benzamide?
The IUPAC name of 2-fluoro-N-[5-[(3-fluorophenyl)methyl]indazol-1-yl]-3-(oxan-2-ylamino)benzamide (CID 172683255) is 2-fluoro-N-[5-[(3-fluorophenyl)methyl]indazol-1-yl]-3-(oxan-2-ylamino)benzamide.
What is the SMILES notation for 2-fluoro-N-[5-[(3-fluorophenyl)methyl]indazol-1-yl]-3-(oxan-2-ylamino)benzamide?
The canonical SMILES for 2-fluoro-N-[5-[(3-fluorophenyl)methyl]indazol-1-yl]-3-(oxan-2-ylamino)benzamide is O=C(Nn1ncc2cc(Cc3cccc(F)c3)ccc21)c1cccc(NC2CCCCO2)c1F.
What is the InChIKey of 2-fluoro-N-[5-[(3-fluorophenyl)methyl]indazol-1-yl]-3-(oxan-2-ylamino)benzamide?
The InChIKey is ARPKHSFPRDDOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c27-20-6-3-5-17(15-20)13-18-10-11-23-19(14-18)16-29-32(23)31-26(33)21-7-4-8-22(25(21)28)30-24-9-1-2-12-34-24/h3-8,10-11,14-16,24,30H,1-2,9,12-13H2,(H,31,33).
What are the key properties of 2-fluoro-N-[5-[(3-fluorophenyl)methyl]indazol-1-yl]-3-(oxan-2-ylamino)benzamide?
2-fluoro-N-[5-[(3-fluorophenyl)methyl]indazol-1-yl]-3-(oxan-2-ylamino)benzamide has a molecular weight of 462.50 g/mol, XLogP of 5.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[(3-fluorophenyl)methyl]indazol-1-yl]-3-(oxan-2-ylamino)benzamide is sourced from PubChem (CID 172683255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).