6-(cyclopropanecarbonylamino)-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-[[5-(1-ethynylcyclopropyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C113H121N39O21S6 — CID 162248023

IUPAC6-(cyclopropanecarbonylamino)-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-[[5-(1-ethynylcyclopropyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nc(C)ccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1cnc(Nc2cc(C3CC3)ncn2)cc1Nc1ncccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ncccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@@H]2CC23CC3)cc1Nc1ncccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C3(C#C)CC3)cn2)cc1Nc1ncccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C3CC3)nn2)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C22H21N7O3S.C20H21N7O3S.C19H20N8O3S.C18H20N6O4S.C18H21N5O4S.C16H18N6O4S/c1-4-22(9-10-22)14-7-8-17(25-13-14)27-18-12-15(19(29-28-18)21(30)23-2)26-20-16(33(3,31)32)6-5-11-24-20;1-21-20(28)13-10-23-17(27-18-8-14(12-5-6-12)24-11-25-18)9-15(13)26-19-16(31(2,29)30)4-3-7-22-19;1-20-19(28)17-13(22-18-14(31(2,29)30)4-3-9-21-18)10-16(26-27-17)23-15-8-7-12(24-25-15)11-5-6-11;1-19-17(26)14-11(21-15-12(29(2,27)28)4-3-7-20-15)8-13(23-24-14)22-16(25)10-9-18(10)5-6-18;1-10-4-7-14(28(3,26)27)16(21-10)22-13-8-15(23-17(24)11-5-6-11)20-9-12(13)18(25)19-2;1-17-16(24)13-10(8-12(21-22-13)20-15(23)9-5-6-9)19-14-11(27(2,25)26)4-3-7-18-14/h1,5-8,11-13H,9-10H2,2-3H3,(H,23,30)(H2,24,25,26,27,28);3-4,7-12H,5-6H2,1-2H3,(H,21,28)(H2,22,23,24,25,26,27);3-4,7-11H,5-6H2,1-2H3,(H,20,28)(H2,21,22,23,25,26);3-4,7-8,10H,5-6,9H2,1-2H3,(H,19,26)(H2,20,21,22,23,25);4,7-9,11H,5-6H2,1-3H3,(H,19,25)(H2,20,21,22,23,24);3-4,7-9H,5-6H2,1-2H3,(H,17,24)(H2,18,19,20,21,23)/t;;;10-;;/m...0../s1/i2D3;3*1D3;2D3;1D3
InChIKeyZXPLVEDWFMPXQW-DHPNXBGASA-N
MW2571.97 g/mol
LogP9.85
Rot. Bonds45

About 6-(cyclopropanecarbonylamino)-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-[[5-(1-ethynylcyclopropyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-(cyclopropanecarbonylamino)-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-[[5-(1-ethynylcyclopropyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 162248023) has the molecular formula C113H121N39O21S6 and a molecular weight of 2571.97 g/mol. Its IUPAC name is 6-(cyclopropanecarbonylamino)-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-[[5-(1-ethynylcyclopropyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(cyclopropanecarbonylamino)-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-[[5-(1-ethynylcyclopropyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID162248023
Molecular FormulaC113H121N39O21S6
Molecular Weight2571.97 g/mol
Exact Mass2569.91
IUPAC Name6-(cyclopropanecarbonylamino)-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-[[5-(1-ethynylcyclopropyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nc(C)ccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1cnc(Nc2cc(C3CC3)ncn2)cc1Nc1ncccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ncccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@@H]2CC23CC3)cc1Nc1ncccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C3(C#C)CC3)cn2)cc1Nc1ncccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C3CC3)nn2)cc1Nc1ncccc1S(C)(=O)=O
InChIInChI=1S/C22H21N7O3S.C20H21N7O3S.C19H20N8O3S.C18H20N6O4S.C18H21N5O4S.C16H18N6O4S/c1-4-22(9-10-22)14-7-8-17(25-13-14)27-18-12-15(19(29-28-18)21(30)23-2)26-20-16(33(3,31)32)6-5-11-24-20;1-21-20(28)13-10-23-17(27-18-8-14(12-5-6-12)24-11-25-18)9-15(13)26-19-16(31(2,29)30)4-3-7-22-19;1-20-19(28)17-13(22-18-14(31(2,29)30)4-3-9-21-18)10-16(26-27-17)23-15-8-7-12(24-25-15)11-5-6-11;1-19-17(26)14-11(21-15-12(29(2,27)28)4-3-7-20-15)8-13(23-24-14)22-16(25)10-9-18(10)5-6-18;1-10-4-7-14(28(3,26)27)16(21-10)22-13-8-15(23-17(24)11-5-6-11)20-9-12(13)18(25)19-2;1-17-16(24)13-10(8-12(21-22-13)20-15(23)9-5-6-9)19-14-11(27(2,25)26)4-3-7-18-14/h1,5-8,11-13H,9-10H2,2-3H3,(H,23,30)(H2,24,25,26,27,28);3-4,7-12H,5-6H2,1-2H3,(H,21,28)(H2,22,23,24,25,26,27);3-4,7-11H,5-6H2,1-2H3,(H,20,28)(H2,21,22,23,25,26);3-4,7-8,10H,5-6,9H2,1-2H3,(H,19,26)(H2,20,21,22,23,25);4,7-9,11H,5-6H2,1-3H3,(H,19,25)(H2,20,21,22,23,24);3-4,7-9H,5-6H2,1-2H3,(H,17,24)(H2,18,19,20,21,23)/t;;;10-;;/m...0../s1/i2D3;3*1D3;2D3;1D3
InChIKeyZXPLVEDWFMPXQW-DHPNXBGASA-N
XLogP9.85
TPSA845.70 Ų
H-Bond Donors18
H-Bond Acceptors51
Rotatable Bonds45
Heavy Atoms179
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002571.97
LogP ≤ 59.85
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

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

Analyze 6-(cyclopropanecarbonylamino)-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-[[5-(1-ethynylcyclopropyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-[[5-(1-ethynylcyclopropyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(cyclopropanecarbonylamino)-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-[[5-(1-ethynylcyclopropyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 162248023) is 6-(cyclopropanecarbonylamino)-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-[[5-(1-ethynylcyclopropyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(cyclopropanecarbonylamino)-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-[[5-(1-ethynylcyclopropyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(cyclopropanecarbonylamino)-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-[[5-(1-ethynylcyclopropyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1nc(C)ccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1cnc(Nc2cc(C3CC3)ncn2)cc1Nc1ncccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ncccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)[C@@H]2CC23CC3)cc1Nc1ncccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C3(C#C)CC3)cn2)cc1Nc1ncccc1S(C)(=O)=O.[2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccc(C3CC3)nn2)cc1Nc1ncccc1S(C)(=O)=O.
What is the InChIKey of 6-(cyclopropanecarbonylamino)-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-[[5-(1-ethynylcyclopropyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is ZXPLVEDWFMPXQW-DHPNXBGASA-N. The full InChI is InChI=1S/C22H21N7O3S.C20H21N7O3S.C19H20N8O3S.C18H20N6O4S.C18H21N5O4S.C16H18N6O4S/c1-4-22(9-10-22)14-7-8-17(25-13-14)27-18-12-15(19(29-28-18)21(30)23-2)26-20-16(33(3,31)32)6-5-11-24-20;1-21-20(28)13-10-23-17(27-18-8-14(12-5-6-12)24-11-25-18)9-15(13)26-19-16(31(2,29)30)4-3-7-22-19;1-20-19(28)17-13(22-18-14(31(2,29)30)4-3-9-21-18)10-16(26-27-17)23-15-8-7-12(24-25-15)11-5-6-11;1-19-17(26)14-11(21-15-12(29(2,27)28)4-3-7-20-15)8-13(23-24-14)22-16(25)10-9-18(10)5-6-18;1-10-4-7-14(28(3,26)27)16(21-10)22-13-8-15(23-17(24)11-5-6-11)20-9-12(13)18(25)19-2;1-17-16(24)13-10(8-12(21-22-13)20-15(23)9-5-6-9)19-14-11(27(2,25)26)4-3-7-18-14/h1,5-8,11-13H,9-10H2,2-3H3,(H,23,30)(H2,24,25,26,27,28);3-4,7-12H,5-6H2,1-2H3,(H,21,28)(H2,22,23,24,25,26,27);3-4,7-11H,5-6H2,1-2H3,(H,20,28)(H2,21,22,23,25,26);3-4,7-8,10H,5-6,9H2,1-2H3,(H,19,26)(H2,20,21,22,23,25);4,7-9,11H,5-6H2,1-3H3,(H,19,25)(H2,20,21,22,23,24);3-4,7-9H,5-6H2,1-2H3,(H,17,24)(H2,18,19,20,21,23)/t;;;10-;;/m...0../s1/i2D3;3*1D3;2D3;1D3.
What are the key properties of 6-(cyclopropanecarbonylamino)-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-[[5-(1-ethynylcyclopropyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-(cyclopropanecarbonylamino)-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-[[5-(1-ethynylcyclopropyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 2571.97 g/mol, XLogP of 9.85, 45 rotatable bonds, 18 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropanecarbonylamino)-4-[(6-methyl-3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyridazin-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-[(6-cyclopropylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridine-3-carboxamide;6-[[5-(1-ethynylcyclopropyl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[(3-methylsulfonyl-2-pyridinyl)amino]-6-[[(2R)-spiro[2.2]pentane-2-carbonyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 162248023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).