6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfinyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide

C69H76ClF7N24O11S4 — CID 159201777

IUPAC6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfinyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide
SMILESCC1(F)CC(C(N)=O)C1.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1ncccc1SC.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC(F)(F)C2)cc1Nc1ncccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC(F)(F)C2)cc1Nc1ncccc1S(C)=O.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC(F)(F)C2)cc1Nc1ncccc1SC
InChIInChI=1S/C17H18F2N6O4S.C17H18F2N6O3S.C17H18F2N6O2S.C12H12ClN5OS.C6H10FNO/c1-20-16(27)13-10(22-14-11(30(2,28)29)4-3-5-21-14)6-12(24-25-13)23-15(26)9-7-17(18,19)8-9;1-20-16(27)13-10(22-14-11(29(2)28)4-3-5-21-14)6-12(24-25-13)23-15(26)9-7-17(18,19)8-9;1-20-16(27)13-10(22-14-11(28-2)4-3-5-21-14)6-12(24-25-13)23-15(26)9-7-17(18,19)8-9;1-14-12(19)10-7(6-9(13)17-18-10)16-11-8(20-2)4-3-5-15-11;1-6(7)2-4(3-6)5(8)9/h3-6,9H,7-8H2,1-2H3,(H,20,27)(H2,21,22,23,24,26);3-6,9H,7-8H2,1-2H3,(H,20,27)(H2,21,22,23,24,26);3-6,9H,7-8H2,1-2H3,(H,20,27)(H2,21,22,23,24,26);3-6H,1-2H3,(H,14,19)(H,15,16,17);4H,2-3H2,1H3,(H2,8,9)/i4*1D3;
InChIKeyKPJMKJSVABONAE-LSPKQCTRSA-N
MW1726.30 g/mol
LogP8.70
Rot. Bonds27

About 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfinyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide

6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfinyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide (PubChem CID 159201777) has the molecular formula C69H76ClF7N24O11S4 and a molecular weight of 1726.30 g/mol. Its IUPAC name is 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfinyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfinyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide
PubChem CID159201777
Molecular FormulaC69H76ClF7N24O11S4
Molecular Weight1726.30 g/mol
Exact Mass1724.53
IUPAC Name6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfinyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide
SMILESCC1(F)CC(C(N)=O)C1.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1ncccc1SC.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC(F)(F)C2)cc1Nc1ncccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC(F)(F)C2)cc1Nc1ncccc1S(C)=O.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC(F)(F)C2)cc1Nc1ncccc1SC
InChIInChI=1S/C17H18F2N6O4S.C17H18F2N6O3S.C17H18F2N6O2S.C12H12ClN5OS.C6H10FNO/c1-20-16(27)13-10(22-14-11(30(2,28)29)4-3-5-21-14)6-12(24-25-13)23-15(26)9-7-17(18,19)8-9;1-20-16(27)13-10(22-14-11(29(2)28)4-3-5-21-14)6-12(24-25-13)23-15(26)9-7-17(18,19)8-9;1-20-16(27)13-10(22-14-11(28-2)4-3-5-21-14)6-12(24-25-13)23-15(26)9-7-17(18,19)8-9;1-14-12(19)10-7(6-9(13)17-18-10)16-11-8(20-2)4-3-5-15-11;1-6(7)2-4(3-6)5(8)9/h3-6,9H,7-8H2,1-2H3,(H,20,27)(H2,21,22,23,24,26);3-6,9H,7-8H2,1-2H3,(H,20,27)(H2,21,22,23,24,26);3-6,9H,7-8H2,1-2H3,(H,20,27)(H2,21,22,23,24,26);3-6H,1-2H3,(H,14,19)(H,15,16,17);4H,2-3H2,1H3,(H2,8,9)/i4*1D3;
InChIKeyKPJMKJSVABONAE-LSPKQCTRSA-N
XLogP8.70
TPSA500.80 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds27
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001726.30
LogP ≤ 58.70
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Analyze 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfinyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfinyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfinyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide (CID 159201777) is 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfinyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfinyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfinyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide is CC1(F)CC(C(N)=O)C1.[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1ncccc1SC.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC(F)(F)C2)cc1Nc1ncccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC(F)(F)C2)cc1Nc1ncccc1S(C)=O.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC(F)(F)C2)cc1Nc1ncccc1SC.
What is the InChIKey of 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfinyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide?
The InChIKey is KPJMKJSVABONAE-LSPKQCTRSA-N. The full InChI is InChI=1S/C17H18F2N6O4S.C17H18F2N6O3S.C17H18F2N6O2S.C12H12ClN5OS.C6H10FNO/c1-20-16(27)13-10(22-14-11(30(2,28)29)4-3-5-21-14)6-12(24-25-13)23-15(26)9-7-17(18,19)8-9;1-20-16(27)13-10(22-14-11(29(2)28)4-3-5-21-14)6-12(24-25-13)23-15(26)9-7-17(18,19)8-9;1-20-16(27)13-10(22-14-11(28-2)4-3-5-21-14)6-12(24-25-13)23-15(26)9-7-17(18,19)8-9;1-14-12(19)10-7(6-9(13)17-18-10)16-11-8(20-2)4-3-5-15-11;1-6(7)2-4(3-6)5(8)9/h3-6,9H,7-8H2,1-2H3,(H,20,27)(H2,21,22,23,24,26);3-6,9H,7-8H2,1-2H3,(H,20,27)(H2,21,22,23,24,26);3-6,9H,7-8H2,1-2H3,(H,20,27)(H2,21,22,23,24,26);3-6H,1-2H3,(H,14,19)(H,15,16,17);4H,2-3H2,1H3,(H2,8,9)/i4*1D3;.
What are the key properties of 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfinyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide?
6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfinyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide has a molecular weight of 1726.30 g/mol, XLogP of 8.70, 27 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfinyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(3,3-difluorocyclobutanecarbonyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;3-fluoro-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 159201777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).