1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone

C85H89FN22O12S4 — CID 158121358

IUPAC1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone
SMILESCCC(=O)c1cnc(Nc2ccc(C(C)(C)C)c(F)n2)cc1Nc1ncccc1S(C)(=O)=O.CS(=O)(=O)c1cccnc1Nc1cc(Nc2cccc(C#N)n2)ncc1C(=O)C1CC1.Cc1cc(Nc2cc(Nc3ccccc3S(C)(=O)=O)c(C(=O)C3CC3)cn2)nn1C.Cc1cc(Nc2cc(Nc3ncccc3S(C)(=O)=O)c(C(=O)C3CC3)cn2)nn1C
InChIInChI=1S/C23H26FN5O3S.C21H18N6O3S.C21H23N5O3S.C20H22N6O3S/c1-6-17(30)14-13-26-20(28-19-10-9-15(21(24)29-19)23(2,3)4)12-16(14)27-22-18(33(5,31)32)8-7-11-25-22;1-31(29,30)17-5-3-9-23-21(17)26-16-10-19(24-12-15(16)20(28)13-7-8-13)27-18-6-2-4-14(11-22)25-18;1-13-10-20(25-26(13)2)24-19-11-17(15(12-22-19)21(27)14-8-9-14)23-16-6-4-5-7-18(16)30(3,28)29;1-12-9-18(25-26(12)2)24-17-10-15(14(11-22-17)19(27)13-6-7-13)23-20-16(30(3,28)29)5-4-8-21-20/h7-13H,6H2,1-5H3,(H2,25,26,27,28,29);2-6,9-10,12-13H,7-8H2,1H3,(H2,23,24,25,26,27);4-7,10-12,14H,8-9H2,1-3H3,(H2,22,23,24,25);4-5,8-11,13H,6-7H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyFRQIHXZZCSMGRM-UHFFFAOYSA-N
MW1758.05 g/mol
LogP14.63
Rot. Bonds28

About 1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone

1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone (PubChem CID 158121358) has the molecular formula C85H89FN22O12S4 and a molecular weight of 1758.05 g/mol. Its IUPAC name is 1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone
PubChem CID158121358
Molecular FormulaC85H89FN22O12S4
Molecular Weight1758.05 g/mol
Exact Mass1756.59
IUPAC Name1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone
SMILESCCC(=O)c1cnc(Nc2ccc(C(C)(C)C)c(F)n2)cc1Nc1ncccc1S(C)(=O)=O.CS(=O)(=O)c1cccnc1Nc1cc(Nc2cccc(C#N)n2)ncc1C(=O)C1CC1.Cc1cc(Nc2cc(Nc3ccccc3S(C)(=O)=O)c(C(=O)C3CC3)cn2)nn1C.Cc1cc(Nc2cc(Nc3ncccc3S(C)(=O)=O)c(C(=O)C3CC3)cn2)nn1C
InChIInChI=1S/C23H26FN5O3S.C21H18N6O3S.C21H23N5O3S.C20H22N6O3S/c1-6-17(30)14-13-26-20(28-19-10-9-15(21(24)29-19)23(2,3)4)12-16(14)27-22-18(33(5,31)32)8-7-11-25-22;1-31(29,30)17-5-3-9-23-21(17)26-16-10-19(24-12-15(16)20(28)13-7-8-13)27-18-6-2-4-14(11-22)25-18;1-13-10-20(25-26(13)2)24-19-11-17(15(12-22-19)21(27)14-8-9-14)23-16-6-4-5-7-18(16)30(3,28)29;1-12-9-18(25-26(12)2)24-17-10-15(14(11-22-17)19(27)13-6-7-13)23-20-16(30(3,28)29)5-4-8-21-20/h7-13H,6H2,1-5H3,(H2,25,26,27,28,29);2-6,9-10,12-13H,7-8H2,1H3,(H2,23,24,25,26,27);4-7,10-12,14H,8-9H2,1-3H3,(H2,22,23,24,25);4-5,8-11,13H,6-7H2,1-3H3,(H2,21,22,23,24,25)
InChIKeyFRQIHXZZCSMGRM-UHFFFAOYSA-N
XLogP14.63
TPSA476.52 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds28
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001758.05
LogP ≤ 514.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-Chloro-6-[(1,5-dimethylpyrazol-3-yl)amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1,5-dimethylpyrazol-3-amine;1-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine
CID 158488433
1-[6-[(5-Tert-butyl-6-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]propan-1-one;1-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]propan-1-one;6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile
CID 159704550
1-[6-[(5-Tert-butyl-6-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]propan-1-one;1-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[4-[(3-methylsulfonyl-2-pyridinyl)amino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile
CID 160103584
[6-[(5-Tert-butyl-6-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]-cyclopropylmethanone;6-[[5-(cyclopropanecarbonyl)-4-(2-methylsulfonylanilino)-2-pyridinyl]amino]pyridine-2-carbonitrile;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone;1-[4-[3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]-3-propan-2-ylurea
CID 168400876
1-[6-[(5-Tert-butyl-6-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]propan-1-one;1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;1-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]propan-1-one;1-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[4-(2-methylsulfonylanilino)-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile;6-[[4-[(3-methylsulfonyl-2-pyridinyl)amino]-5-propanoyl-2-pyridinyl]amino]pyridine-2-carbonitrile
CID 168417569

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone?
The IUPAC name of 1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone (CID 158121358) is 1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone.
What is the SMILES notation for 1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone?
The canonical SMILES for 1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone is CCC(=O)c1cnc(Nc2ccc(C(C)(C)C)c(F)n2)cc1Nc1ncccc1S(C)(=O)=O.CS(=O)(=O)c1cccnc1Nc1cc(Nc2cccc(C#N)n2)ncc1C(=O)C1CC1.Cc1cc(Nc2cc(Nc3ccccc3S(C)(=O)=O)c(C(=O)C3CC3)cn2)nn1C.Cc1cc(Nc2cc(Nc3ncccc3S(C)(=O)=O)c(C(=O)C3CC3)cn2)nn1C.
What is the InChIKey of 1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone?
The InChIKey is FRQIHXZZCSMGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3S.C21H18N6O3S.C21H23N5O3S.C20H22N6O3S/c1-6-17(30)14-13-26-20(28-19-10-9-15(21(24)29-19)23(2,3)4)12-16(14)27-22-18(33(5,31)32)8-7-11-25-22;1-31(29,30)17-5-3-9-23-21(17)26-16-10-19(24-12-15(16)20(28)13-7-8-13)27-18-6-2-4-14(11-22)25-18;1-13-10-20(25-26(13)2)24-19-11-17(15(12-22-19)21(27)14-8-9-14)23-16-6-4-5-7-18(16)30(3,28)29;1-12-9-18(25-26(12)2)24-17-10-15(14(11-22-17)19(27)13-6-7-13)23-20-16(30(3,28)29)5-4-8-21-20/h7-13H,6H2,1-5H3,(H2,25,26,27,28,29);2-6,9-10,12-13H,7-8H2,1H3,(H2,23,24,25,26,27);4-7,10-12,14H,8-9H2,1-3H3,(H2,22,23,24,25);4-5,8-11,13H,6-7H2,1-3H3,(H2,21,22,23,24,25).
What are the key properties of 1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone?
1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone has a molecular weight of 1758.05 g/mol, XLogP of 14.63, 28 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-tert-butyl-6-fluoro-2-pyridinyl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;6-[[5-(cyclopropanecarbonyl)-4-[(3-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]amino]pyridine-2-carbonitrile;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]methanone;cyclopropyl-[6-[(1,5-dimethylpyrazol-3-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]methanone is sourced from PubChem (CID 158121358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).