2-fluoro-3-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-5-(oxan-4-ylamino)benzamide

C26H24F2N4O2 — CID 142797108

IUPAC2-fluoro-3-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-5-(oxan-4-ylamino)benzamide
SMILESNC(=O)c1cc(NC2CCOCC2)cc(-c2n[nH]c3ccc(Cc4cccc(F)c4)cc23)c1F
InChIInChI=1S/C26H24F2N4O2/c27-17-3-1-2-15(11-17)10-16-4-5-23-20(12-16)25(32-31-23)21-13-19(14-22(24(21)28)26(29)33)30-18-6-8-34-9-7-18/h1-5,11-14,18,30H,6-10H2,(H2,29,33)(H,31,32)
InChIKeyZWGNHMWZLQEXOE-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.79
Rot. Bonds6

About 2-fluoro-3-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-5-(oxan-4-ylamino)benzamide

2-fluoro-3-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-5-(oxan-4-ylamino)benzamide (PubChem CID 142797108) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 2-fluoro-3-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-5-(oxan-4-ylamino)benzamide.

Molecular Properties

Compound Name2-fluoro-3-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-5-(oxan-4-ylamino)benzamide
PubChem CID142797108
Molecular FormulaC26H24F2N4O2
Molecular Weight462.50 g/mol
Exact Mass462.19
IUPAC Name2-fluoro-3-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-5-(oxan-4-ylamino)benzamide
SMILESNC(=O)c1cc(NC2CCOCC2)cc(-c2n[nH]c3ccc(Cc4cccc(F)c4)cc23)c1F
InChIInChI=1S/C26H24F2N4O2/c27-17-3-1-2-15(11-17)10-16-4-5-23-20(12-16)25(32-31-23)21-13-19(14-22(24(21)28)26(29)33)30-18-6-8-34-9-7-18/h1-5,11-14,18,30H,6-10H2,(H2,29,33)(H,31,32)
InChIKeyZWGNHMWZLQEXOE-UHFFFAOYSA-N
XLogP4.79
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-5-(oxan-4-ylamino)benzamide?
The IUPAC name of 2-fluoro-3-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-5-(oxan-4-ylamino)benzamide (CID 142797108) is 2-fluoro-3-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-5-(oxan-4-ylamino)benzamide.
What is the SMILES notation for 2-fluoro-3-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-5-(oxan-4-ylamino)benzamide?
The canonical SMILES for 2-fluoro-3-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-5-(oxan-4-ylamino)benzamide is NC(=O)c1cc(NC2CCOCC2)cc(-c2n[nH]c3ccc(Cc4cccc(F)c4)cc23)c1F.
What is the InChIKey of 2-fluoro-3-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-5-(oxan-4-ylamino)benzamide?
The InChIKey is ZWGNHMWZLQEXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c27-17-3-1-2-15(11-17)10-16-4-5-23-20(12-16)25(32-31-23)21-13-19(14-22(24(21)28)26(29)33)30-18-6-8-34-9-7-18/h1-5,11-14,18,30H,6-10H2,(H2,29,33)(H,31,32).
What are the key properties of 2-fluoro-3-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-5-(oxan-4-ylamino)benzamide?
2-fluoro-3-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-5-(oxan-4-ylamino)benzamide has a molecular weight of 462.50 g/mol, XLogP of 4.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[5-[(3-fluorophenyl)methyl]-1H-indazol-3-yl]-5-(oxan-4-ylamino)benzamide is sourced from PubChem (CID 142797108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).