4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;3-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;diphenylmethanimine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate

C79H67BrClF12N13O5 — CID 159486442

IUPAC4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;3-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;diphenylmethanimine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate
SMILESCC1Cn2ncc(-c3ccc(F)cc3F)c2CN1.CC1Cn2ncc(-c3ccc(F)cc3F)c2CN1C(=O)Cc1ccnc(C(F)F)c1.FC(F)c1cc(Br)ccn1.Nc1ccnc(C(F)F)c1.O=C(Cl)Oc1ccccc1.O=C(Nc1ccnc(C(F)F)c1)Oc1ccccc1.[H]N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18F4N4O.C13H13F2N3.C13H10F2N2O2.C13H11N.C7H5ClO2.C6H4BrF2N.C6H6F2N2/c1-12-10-29-19(16(9-27-29)15-3-2-14(22)8-17(15)23)11-28(12)20(30)7-13-4-5-26-18(6-13)21(24)25;1-8-7-18-13(6-16-8)11(5-17-18)10-3-2-9(14)4-12(10)15;14-12(15)11-8-9(6-7-16-11)17-13(18)19-10-4-2-1-3-5-10;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-7(9)10-6-4-2-1-3-5-6;7-4-1-2-10-5(3-4)6(8)9;7-6(8)5-3-4(9)1-2-10-5/h2-6,8-9,12,21H,7,10-11H2,1H3;2-5,8,16H,6-7H2,1H3;1-8,12H,(H,16,17,18);1-10,14H;1-5H;1-3,6H;1-3,6H,(H2,9,10)
InChIKeyLXQKCFNXAPCFAA-UHFFFAOYSA-N
MW1621.82 g/mol
LogP19.99
Rot. Bonds13

About 4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;3-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;diphenylmethanimine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate

4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;3-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;diphenylmethanimine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate (PubChem CID 159486442) has the molecular formula C79H67BrClF12N13O5 and a molecular weight of 1621.82 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;3-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;diphenylmethanimine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate.

Molecular Properties

Compound Name4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;3-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;diphenylmethanimine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate
PubChem CID159486442
Molecular FormulaC79H67BrClF12N13O5
Molecular Weight1621.82 g/mol
Exact Mass1619.41
IUPAC Name4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;3-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;diphenylmethanimine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate
SMILESCC1Cn2ncc(-c3ccc(F)cc3F)c2CN1.CC1Cn2ncc(-c3ccc(F)cc3F)c2CN1C(=O)Cc1ccnc(C(F)F)c1.FC(F)c1cc(Br)ccn1.Nc1ccnc(C(F)F)c1.O=C(Cl)Oc1ccccc1.O=C(Nc1ccnc(C(F)F)c1)Oc1ccccc1.[H]N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H18F4N4O.C13H13F2N3.C13H10F2N2O2.C13H11N.C7H5ClO2.C6H4BrF2N.C6H6F2N2/c1-12-10-29-19(16(9-27-29)15-3-2-14(22)8-17(15)23)11-28(12)20(30)7-13-4-5-26-18(6-13)21(24)25;1-8-7-18-13(6-16-8)11(5-17-18)10-3-2-9(14)4-12(10)15;14-12(15)11-8-9(6-7-16-11)17-13(18)19-10-4-2-1-3-5-10;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-7(9)10-6-4-2-1-3-5-6;7-4-1-2-10-5(3-4)6(8)9;7-6(8)5-3-4(9)1-2-10-5/h2-6,8-9,12,21H,7,10-11H2,1H3;2-5,8,16H,6-7H2,1H3;1-8,12H,(H,16,17,18);1-10,14H;1-5H;1-3,6H;1-3,6H,(H2,9,10)
InChIKeyLXQKCFNXAPCFAA-UHFFFAOYSA-N
XLogP19.99
TPSA234.04 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001621.82
LogP ≤ 519.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;3-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;diphenylmethanimine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate with MolForge

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Related Compounds

1-bromo-3-(1,1-difluoroethyl)benzene;3-(1,1-difluoroethyl)aniline;N-[3-(1,1-difluoroethyl)phenyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;diphenylmethanimine;3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;methane;phenyl carbonochloridate;phenyl N-[3-(1,1-difluoroethyl)phenyl]carbamate
CID 157484847
1-bromo-3-(1,1-difluoroethyl)benzene;3-(1,1-difluoroethyl)aniline;N-[3-(1,1-difluoroethyl)phenyl]-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;diphenylmethanimine;3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;phenyl carbonochloridate;phenyl N-[3-(1,1-difluoroethyl)phenyl]carbamate
CID 163733132
4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[(6S)-6-methyl-3-propan-2-ylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;diphenylmethanimine;methane;(6S)-6-methyl-3-propan-2-ylsulfonyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate
CID 161755452

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;3-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;diphenylmethanimine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate?
The IUPAC name of 4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;3-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;diphenylmethanimine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate (CID 159486442) is 4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;3-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;diphenylmethanimine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate.
What is the SMILES notation for 4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;3-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;diphenylmethanimine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate?
The canonical SMILES for 4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;3-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;diphenylmethanimine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate is CC1Cn2ncc(-c3ccc(F)cc3F)c2CN1.CC1Cn2ncc(-c3ccc(F)cc3F)c2CN1C(=O)Cc1ccnc(C(F)F)c1.FC(F)c1cc(Br)ccn1.Nc1ccnc(C(F)F)c1.O=C(Cl)Oc1ccccc1.O=C(Nc1ccnc(C(F)F)c1)Oc1ccccc1.[H]N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;3-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;diphenylmethanimine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate?
The InChIKey is LXQKCFNXAPCFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N4O.C13H13F2N3.C13H10F2N2O2.C13H11N.C7H5ClO2.C6H4BrF2N.C6H6F2N2/c1-12-10-29-19(16(9-27-29)15-3-2-14(22)8-17(15)23)11-28(12)20(30)7-13-4-5-26-18(6-13)21(24)25;1-8-7-18-13(6-16-8)11(5-17-18)10-3-2-9(14)4-12(10)15;14-12(15)11-8-9(6-7-16-11)17-13(18)19-10-4-2-1-3-5-10;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-7(9)10-6-4-2-1-3-5-6;7-4-1-2-10-5(3-4)6(8)9;7-6(8)5-3-4(9)1-2-10-5/h2-6,8-9,12,21H,7,10-11H2,1H3;2-5,8,16H,6-7H2,1H3;1-8,12H,(H,16,17,18);1-10,14H;1-5H;1-3,6H;1-3,6H,(H2,9,10).
What are the key properties of 4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;3-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;diphenylmethanimine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate?
4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;3-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;diphenylmethanimine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate has a molecular weight of 1621.82 g/mol, XLogP of 19.99, 13 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethyl)pyridine;2-(difluoromethyl)pyridin-4-amine;2-[2-(difluoromethyl)-4-pyridinyl]-1-[3-(2,4-difluorophenyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;3-(2,4-difluorophenyl)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;diphenylmethanimine;phenyl carbonochloridate;phenyl N-[2-(difluoromethyl)-4-pyridinyl]carbamate is sourced from PubChem (CID 159486442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).