6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide

C18H17F2N7O3S — CID 157472852

IUPAC6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccc(C(F)F)cn2)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C18H17F2N7O3S/c1-21-18(28)15-11(24-17-12(31(2,29)30)4-3-7-22-17)8-14(26-27-15)25-13-6-5-10(9-23-13)16(19)20/h3-9,16H,1-2H3,(H,21,28)(H2,22,23,24,25,26)
InChIKeyLUJYEYOHUYPQIP-UHFFFAOYSA-N
MW449.44 g/mol
LogP2.45
Rot. Bonds7

About 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide

6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide (PubChem CID 157472852) has the molecular formula C18H17F2N7O3S and a molecular weight of 449.44 g/mol. Its IUPAC name is 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide
PubChem CID157472852
Molecular FormulaC18H17F2N7O3S
Molecular Weight449.44 g/mol
Exact Mass449.11
IUPAC Name6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccc(C(F)F)cn2)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C18H17F2N7O3S/c1-21-18(28)15-11(24-17-12(31(2,29)30)4-3-7-22-17)8-14(26-27-15)25-13-6-5-10(9-23-13)16(19)20/h3-9,16H,1-2H3,(H,21,28)(H2,22,23,24,25,26)
InChIKeyLUJYEYOHUYPQIP-UHFFFAOYSA-N
XLogP2.45
TPSA138.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide with MolForge

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Related Compounds

6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
CID 90153688
N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide
CID 138756257
N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 75201717
5-[[(3S,4S)-4-amino-1,1-dioxothian-3-yl]amino]-3-[[4,6-dimethyl-5-(1-methylpyrazol-4-yl)-2-pyridinyl]amino]pyridine-2-carboxamide
CID 118733359
Tyk2-IN-7
CID 138911330
6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 155517004
6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 155566039
Nomelcitinib
CID 170678247
N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 75201851
4-(2-ethylsulfonylanilino)-6-[(5-fluoro-2-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 155523996
US11021475, Example 4
CID 75201911
US11021475, Example 5
CID 75201912

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide (CID 157472852) is 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2ccc(C(F)F)cn2)cc1Nc1ncccc1S(C)(=O)=O.
What is the InChIKey of 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
The InChIKey is LUJYEYOHUYPQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N7O3S/c1-21-18(28)15-11(24-17-12(31(2,29)30)4-3-7-22-17)8-14(26-27-15)25-13-6-5-10(9-23-13)16(19)20/h3-9,16H,1-2H3,(H,21,28)(H2,22,23,24,25,26).
What are the key properties of 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide?
6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide has a molecular weight of 449.44 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(difluoromethyl)-2-pyridinyl]amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 157472852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).