3-amino-1,1-difluoro-1-(6-fluoro-2-methylindazol-5-yl)propan-2-one;3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[(4,6-difluoro-2-methylindazol-5-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazine;methane

C42H37ClF7N15O — CID 157356961

IUPAC3-amino-1,1-difluoro-1-(6-fluoro-2-methylindazol-5-yl)propan-2-one;3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[(4,6-difluoro-2-methylindazol-5-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazine;methane
SMILESC.Clc1ccc(-c2cnn(C3CC3)c2)nn1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5cnn(C6CC6)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)C(=O)CN)c(F)cc2n1
InChIInChI=1S/C20H14F4N8.C11H10F3N3O.C10H9ClN4.CH4/c1-30-9-12-15(28-30)6-13(21)17(18(12)22)20(23,24)19-27-26-16-5-4-14(29-32(16)19)10-7-25-31(8-10)11-2-3-11;1-17-5-6-2-7(8(12)3-9(6)16-17)11(13,14)10(18)4-15;11-10-4-3-9(13-14-10)7-5-12-15(6-7)8-1-2-8;/h4-9,11H,2-3H2,1H3;2-3,5H,4,15H2,1H3;3-6,8H,1-2H2;1H4
InChIKeyBIEUWVDUZQZOGL-UHFFFAOYSA-N
MW936.30 g/mol
LogP7.92
Rot. Bonds9

About 3-amino-1,1-difluoro-1-(6-fluoro-2-methylindazol-5-yl)propan-2-one;3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[(4,6-difluoro-2-methylindazol-5-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazine;methane

3-amino-1,1-difluoro-1-(6-fluoro-2-methylindazol-5-yl)propan-2-one;3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[(4,6-difluoro-2-methylindazol-5-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazine;methane (PubChem CID 157356961) has the molecular formula C42H37ClF7N15O and a molecular weight of 936.30 g/mol. Its IUPAC name is 3-amino-1,1-difluoro-1-(6-fluoro-2-methylindazol-5-yl)propan-2-one;3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[(4,6-difluoro-2-methylindazol-5-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazine;methane.

Molecular Properties

Compound Name3-amino-1,1-difluoro-1-(6-fluoro-2-methylindazol-5-yl)propan-2-one;3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[(4,6-difluoro-2-methylindazol-5-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazine;methane
PubChem CID157356961
Molecular FormulaC42H37ClF7N15O
Molecular Weight936.30 g/mol
Exact Mass935.29
IUPAC Name3-amino-1,1-difluoro-1-(6-fluoro-2-methylindazol-5-yl)propan-2-one;3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[(4,6-difluoro-2-methylindazol-5-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazine;methane
SMILESC.Clc1ccc(-c2cnn(C3CC3)c2)nn1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5cnn(C6CC6)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)C(=O)CN)c(F)cc2n1
InChIInChI=1S/C20H14F4N8.C11H10F3N3O.C10H9ClN4.CH4/c1-30-9-12-15(28-30)6-13(21)17(18(12)22)20(23,24)19-27-26-16-5-4-14(29-32(16)19)10-7-25-31(8-10)11-2-3-11;1-17-5-6-2-7(8(12)3-9(6)16-17)11(13,14)10(18)4-15;11-10-4-3-9(13-14-10)7-5-12-15(6-7)8-1-2-8;/h4-9,11H,2-3H2,1H3;2-3,5H,4,15H2,1H3;3-6,8H,1-2H2;1H4
InChIKeyBIEUWVDUZQZOGL-UHFFFAOYSA-N
XLogP7.92
TPSA183.23 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500936.30
LogP ≤ 57.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 3-amino-1,1-difluoro-1-(6-fluoro-2-methylindazol-5-yl)propan-2-one;3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[(4,6-difluoro-2-methylindazol-5-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazine;methane with MolForge

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Related Compounds

1-Cyclopropyl-2-[4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone
CID 148616344
1-Cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone
CID 157211875
6-(5-Chloro-3-pyridinyl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 158164377
acetylene;3-amino-1,1-difluoro-1-(4-fluoro-2-methylindazol-5-yl)propan-2-one;4-(6-chloropyridazin-3-yl)-2-fluoro-N-methylbenzamide;4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide
CID 158885705
6-(5-chloro-3-pyridinyl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide
CID 159686508
6-(5-chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;1-cyclopropyl-2-[4-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide
CID 160536544
3-(6-Chloro-2-pentylpyrazolo[3,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one;4,6-dichloro-2-pentylpyrazolo[3,4-d]pyrimidine;5-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 161111331
4-Chloro-2-propylpyrazolo[3,4-d]pyrimidine;oxolane;3-(2-propylpyrazolo[3,4-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one;5-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 161553293
1-cyclopropyl-2-[4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluorophenyl]ethanone;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2,6-difluoro-N-methylbenzamide
CID 164160803
CID 167651461
CID 167651461
6-(5-chloro-3-pyridinyl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;bis(3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine);3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;5-[3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylpyridine-2-carboxamide
CID 167664979
1-[4-[4-(Aminomethyl)pyrazol-1-yl]-3-(trifluoromethyl)phenyl]-3-(2-chloro-7-propan-2-ylpyrazolo[1,5-a]pyrimidin-6-yl)propan-2-one
CID 161669138

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1-difluoro-1-(6-fluoro-2-methylindazol-5-yl)propan-2-one;3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[(4,6-difluoro-2-methylindazol-5-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazine;methane?
The IUPAC name of 3-amino-1,1-difluoro-1-(6-fluoro-2-methylindazol-5-yl)propan-2-one;3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[(4,6-difluoro-2-methylindazol-5-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazine;methane (CID 157356961) is 3-amino-1,1-difluoro-1-(6-fluoro-2-methylindazol-5-yl)propan-2-one;3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[(4,6-difluoro-2-methylindazol-5-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazine;methane.
What is the SMILES notation for 3-amino-1,1-difluoro-1-(6-fluoro-2-methylindazol-5-yl)propan-2-one;3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[(4,6-difluoro-2-methylindazol-5-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazine;methane?
The canonical SMILES for 3-amino-1,1-difluoro-1-(6-fluoro-2-methylindazol-5-yl)propan-2-one;3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[(4,6-difluoro-2-methylindazol-5-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazine;methane is C.Clc1ccc(-c2cnn(C3CC3)c2)nn1.Cn1cc2c(F)c(C(F)(F)c3nnc4ccc(-c5cnn(C6CC6)c5)nn34)c(F)cc2n1.Cn1cc2cc(C(F)(F)C(=O)CN)c(F)cc2n1.
What is the InChIKey of 3-amino-1,1-difluoro-1-(6-fluoro-2-methylindazol-5-yl)propan-2-one;3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[(4,6-difluoro-2-methylindazol-5-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazine;methane?
The InChIKey is BIEUWVDUZQZOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N8.C11H10F3N3O.C10H9ClN4.CH4/c1-30-9-12-15(28-30)6-13(21)17(18(12)22)20(23,24)19-27-26-16-5-4-14(29-32(16)19)10-7-25-31(8-10)11-2-3-11;1-17-5-6-2-7(8(12)3-9(6)16-17)11(13,14)10(18)4-15;11-10-4-3-9(13-14-10)7-5-12-15(6-7)8-1-2-8;/h4-9,11H,2-3H2,1H3;2-3,5H,4,15H2,1H3;3-6,8H,1-2H2;1H4.
What are the key properties of 3-amino-1,1-difluoro-1-(6-fluoro-2-methylindazol-5-yl)propan-2-one;3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[(4,6-difluoro-2-methylindazol-5-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazine;methane?
3-amino-1,1-difluoro-1-(6-fluoro-2-methylindazol-5-yl)propan-2-one;3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[(4,6-difluoro-2-methylindazol-5-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazine;methane has a molecular weight of 936.30 g/mol, XLogP of 7.92, 9 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1-difluoro-1-(6-fluoro-2-methylindazol-5-yl)propan-2-one;3-chloro-6-(1-cyclopropylpyrazol-4-yl)pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[(4,6-difluoro-2-methylindazol-5-yl)-difluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazine;methane is sourced from PubChem (CID 157356961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).