2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane

C45H35ClF6N8O2 — CID 161297459

IUPAC2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane
SMILESC.Cn1nc(-c2ccccc2F)cc1-c1ccc(N)nc1.Cn1nc(-c2ccccc2F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.O=C(Cl)c1c(F)cccc1F
InChIInChI=1S/C22H15F3N4O.C15H13FN4.C7H3ClF2O.CH4/c1-29-19(11-18(28-29)14-5-2-3-6-15(14)23)13-9-10-20(26-12-13)27-22(30)21-16(24)7-4-8-17(21)25;1-20-14(10-6-7-15(17)18-9-10)8-13(19-20)11-4-2-3-5-12(11)16;8-7(11)6-4(9)2-1-3-5(6)10;/h2-12H,1H3,(H,26,27,30);2-9H,1H3,(H2,17,18);1-3H;1H4
InChIKeyVHDXHPAPBBMPQF-UHFFFAOYSA-N
MW869.27 g/mol
LogP10.67
Rot. Bonds7

About 2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane

2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane (PubChem CID 161297459) has the molecular formula C45H35ClF6N8O2 and a molecular weight of 869.27 g/mol. Its IUPAC name is 2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane.

Molecular Properties

Compound Name2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane
PubChem CID161297459
Molecular FormulaC45H35ClF6N8O2
Molecular Weight869.27 g/mol
Exact Mass868.25
IUPAC Name2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane
SMILESC.Cn1nc(-c2ccccc2F)cc1-c1ccc(N)nc1.Cn1nc(-c2ccccc2F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.O=C(Cl)c1c(F)cccc1F
InChIInChI=1S/C22H15F3N4O.C15H13FN4.C7H3ClF2O.CH4/c1-29-19(11-18(28-29)14-5-2-3-6-15(14)23)13-9-10-20(26-12-13)27-22(30)21-16(24)7-4-8-17(21)25;1-20-14(10-6-7-15(17)18-9-10)8-13(19-20)11-4-2-3-5-12(11)16;8-7(11)6-4(9)2-1-3-5(6)10;/h2-12H,1H3,(H,26,27,30);2-9H,1H3,(H2,17,18);1-3H;1H4
InChIKeyVHDXHPAPBBMPQF-UHFFFAOYSA-N
XLogP10.67
TPSA133.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500869.27
LogP ≤ 510.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane with MolForge

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Related Compounds

N-[3-[3-(2-anilinopyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide
CID 44528945
2,6-difluoro-N-[3-[3-[2-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44528946
2,5-difluoro-N-[3-[3-[2-[3-(2-oxopyrrolidin-1-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529283
N-[3-[3-[2-(3-acetamidoanilino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]phenyl]-2,6-difluorobenzamide
CID 44528967
2,3,6-trifluoro-N-[3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529276
2,6-difluoro-N-[3-[3-[2-[4-(1H-pyrazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529357
2-chloro-3,6-difluoro-N-[3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529262
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 119098954
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 119098961
4-fluoro-N-[3-(1-methylpyrazol-4-yl)-1,6-naphthyridin-5-yl]benzamide
CID 122184274
3-fluoro-4-phenyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]benzamide
CID 57861719
US20250074911, Example 40
CID 168934351

Frequently Asked Questions

What is the IUPAC name of 2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane?
The IUPAC name of 2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane (CID 161297459) is 2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane.
What is the SMILES notation for 2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane?
The canonical SMILES for 2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane is C.Cn1nc(-c2ccccc2F)cc1-c1ccc(N)nc1.Cn1nc(-c2ccccc2F)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.O=C(Cl)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane?
The InChIKey is VHDXHPAPBBMPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O.C15H13FN4.C7H3ClF2O.CH4/c1-29-19(11-18(28-29)14-5-2-3-6-15(14)23)13-9-10-20(26-12-13)27-22(30)21-16(24)7-4-8-17(21)25;1-20-14(10-6-7-15(17)18-9-10)8-13(19-20)11-4-2-3-5-12(11)16;8-7(11)6-4(9)2-1-3-5(6)10;/h2-12H,1H3,(H,26,27,30);2-9H,1H3,(H2,17,18);1-3H;1H4.
What are the key properties of 2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane?
2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane has a molecular weight of 869.27 g/mol, XLogP of 10.67, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluorobenzoyl chloride;2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]-2-pyridinyl]benzamide;5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyridin-2-amine;methane is sourced from PubChem (CID 161297459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).