N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide

C26H20F2N4O2 — CID 171635810

IUPACN-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
SMILESC#CCn1cc(-c2cc(Oc3cccc(C(=O)NCc4cc(F)cc(F)c4)c3C)ccn2)cn1
InChIInChI=1S/C26H20F2N4O2/c1-3-9-32-16-19(15-31-32)24-13-22(7-8-29-24)34-25-6-4-5-23(17(25)2)26(33)30-14-18-10-20(27)12-21(28)11-18/h1,4-8,10-13,15-16H,9,14H2,2H3,(H,30,33)
InChIKeySXQSKTWXLDFQMR-UHFFFAOYSA-N
MW458.47 g/mol
LogP4.89
Rot. Bonds7

About N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide

N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide (PubChem CID 171635810) has the molecular formula C26H20F2N4O2 and a molecular weight of 458.47 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
PubChem CID171635810
Molecular FormulaC26H20F2N4O2
Molecular Weight458.47 g/mol
Exact Mass458.16
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
SMILESC#CCn1cc(-c2cc(Oc3cccc(C(=O)NCc4cc(F)cc(F)c4)c3C)ccn2)cn1
InChIInChI=1S/C26H20F2N4O2/c1-3-9-32-16-19(15-31-32)24-13-22(7-8-29-24)34-25-6-4-5-23(17(25)2)26(33)30-14-18-10-20(27)12-21(28)11-18/h1,4-8,10-13,15-16H,9,14H2,2H3,(H,30,33)
InChIKeySXQSKTWXLDFQMR-UHFFFAOYSA-N
XLogP4.89
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-3-[[2-(6-fluoro-3-pyridinyl)-4-pyridinyl]oxy]-2-methylbenzamide
CID 171634914
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]benzamide
CID 171635993
3-[[2-[1-(2-cyanoethyl)pyrrol-3-yl]-4-pyridinyl]oxy]-N-[(3,5-difluorophenyl)methyl]-2-methylbenzamide
CID 171635011
N-[(5-fluoro-2-pyridinyl)methyl]-2-methyl-3-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide
CID 171635424
N-[(3,5-difluorophenyl)methyl]-3-[[2-[3-[(1Z)-1-(dimethylamino)buta-1,3-dienyl]phenyl]-4-pyridinyl]oxy]-2-methylbenzamide
CID 171635038
N-[4-[3-[(3,5-difluorophenyl)methylcarbamoyl]-2-methylphenoxy]-2-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 171635206
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(3-methylanilino)-4-pyridinyl]oxy]benzamide
CID 171635380
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(5-methyl-4H-pyridazin-1-yl)-4-pyridinyl]oxy]benzamide
CID 171635621
N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-3-[(2-pyridin-3-yl-4-pyridinyl)oxy]benzamide
CID 171635312
N-[(3,5-difluorophenyl)methyl]-3-[[2-[[(Z,2E)-2-ethylidenepent-3-enoyl]amino]-4-pyridinyl]oxy]-2-methylbenzamide;ethane
CID 171635153
N-[(3,5-difluorophenyl)methyl]-1-[2-methyl-3-[[2-(2-propan-2-yl-1,5-dihydropyrazol-4-yl)-4-pyridinyl]oxy]phenyl]ethenamine
CID 171635118
N-[(4-fluorophenyl)methyl]-2-methyl-3-[[2-[(E)-1-methyliminobut-2-en-2-yl]-4-pyridinyl]oxy]benzamide
CID 171635273

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide (CID 171635810) is N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide is C#CCn1cc(-c2cc(Oc3cccc(C(=O)NCc4cc(F)cc(F)c4)c3C)ccn2)cn1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide?
The InChIKey is SXQSKTWXLDFQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N4O2/c1-3-9-32-16-19(15-31-32)24-13-22(7-8-29-24)34-25-6-4-5-23(17(25)2)26(33)30-14-18-10-20(27)12-21(28)11-18/h1,4-8,10-13,15-16H,9,14H2,2H3,(H,30,33).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide?
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide has a molecular weight of 458.47 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-methyl-3-[[2-(1-prop-2-ynylpyrazol-4-yl)-4-pyridinyl]oxy]benzamide is sourced from PubChem (CID 171635810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).