N-benzyl-4-[(2,2-difluoroacetyl)-(1-methylindazol-5-yl)amino]oxane-4-carboxamide

C23H24F2N4O3 — CID 166630077

IUPACN-benzyl-4-[(2,2-difluoroacetyl)-(1-methylindazol-5-yl)amino]oxane-4-carboxamide
SMILESCn1ncc2cc(N(C(=O)C(F)F)C3(C(=O)NCc4ccccc4)CCOCC3)ccc21
InChIInChI=1S/C23H24F2N4O3/c1-28-19-8-7-18(13-17(19)15-27-28)29(21(30)20(24)25)23(9-11-32-12-10-23)22(31)26-14-16-5-3-2-4-6-16/h2-8,13,15,20H,9-12,14H2,1H3,(H,26,31)
InChIKeyWYKFIBXHPRZLBG-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.04
Rot. Bonds6

About N-benzyl-4-[(2,2-difluoroacetyl)-(1-methylindazol-5-yl)amino]oxane-4-carboxamide

N-benzyl-4-[(2,2-difluoroacetyl)-(1-methylindazol-5-yl)amino]oxane-4-carboxamide (PubChem CID 166630077) has the molecular formula C23H24F2N4O3 and a molecular weight of 442.47 g/mol. Its IUPAC name is N-benzyl-4-[(2,2-difluoroacetyl)-(1-methylindazol-5-yl)amino]oxane-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(2,2-difluoroacetyl)-(1-methylindazol-5-yl)amino]oxane-4-carboxamide
PubChem CID166630077
Molecular FormulaC23H24F2N4O3
Molecular Weight442.47 g/mol
Exact Mass442.18
IUPAC NameN-benzyl-4-[(2,2-difluoroacetyl)-(1-methylindazol-5-yl)amino]oxane-4-carboxamide
SMILESCn1ncc2cc(N(C(=O)C(F)F)C3(C(=O)NCc4ccccc4)CCOCC3)ccc21
InChIInChI=1S/C23H24F2N4O3/c1-28-19-8-7-18(13-17(19)15-27-28)29(21(30)20(24)25)23(9-11-32-12-10-23)22(31)26-14-16-5-3-2-4-6-16/h2-8,13,15,20H,9-12,14H2,1H3,(H,26,31)
InChIKeyWYKFIBXHPRZLBG-UHFFFAOYSA-N
XLogP3.04
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2,2-difluoroacetyl)-(1-methylindazol-5-yl)amino]oxane-4-carboxamide?
The IUPAC name of N-benzyl-4-[(2,2-difluoroacetyl)-(1-methylindazol-5-yl)amino]oxane-4-carboxamide (CID 166630077) is N-benzyl-4-[(2,2-difluoroacetyl)-(1-methylindazol-5-yl)amino]oxane-4-carboxamide.
What is the SMILES notation for N-benzyl-4-[(2,2-difluoroacetyl)-(1-methylindazol-5-yl)amino]oxane-4-carboxamide?
The canonical SMILES for N-benzyl-4-[(2,2-difluoroacetyl)-(1-methylindazol-5-yl)amino]oxane-4-carboxamide is Cn1ncc2cc(N(C(=O)C(F)F)C3(C(=O)NCc4ccccc4)CCOCC3)ccc21.
What is the InChIKey of N-benzyl-4-[(2,2-difluoroacetyl)-(1-methylindazol-5-yl)amino]oxane-4-carboxamide?
The InChIKey is WYKFIBXHPRZLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O3/c1-28-19-8-7-18(13-17(19)15-27-28)29(21(30)20(24)25)23(9-11-32-12-10-23)22(31)26-14-16-5-3-2-4-6-16/h2-8,13,15,20H,9-12,14H2,1H3,(H,26,31).
What are the key properties of N-benzyl-4-[(2,2-difluoroacetyl)-(1-methylindazol-5-yl)amino]oxane-4-carboxamide?
N-benzyl-4-[(2,2-difluoroacetyl)-(1-methylindazol-5-yl)amino]oxane-4-carboxamide has a molecular weight of 442.47 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2,2-difluoroacetyl)-(1-methylindazol-5-yl)amino]oxane-4-carboxamide is sourced from PubChem (CID 166630077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).