2-(6-amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine

C60H67Cl3F3N13O10S2 — CID 159805358

IUPAC2-(6-amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine
SMILESCC(C)(O)c1ccc(N)nc1F.CCC(=O)c1cnc(Cl)cc1Cl.CCC(=O)c1cnc(Nc2ccc(C(C)(C)O)c(F)n2)cc1Cl.CCC(=O)c1cnc(Nc2ccc(C(C)(C)O)c(F)n2)cc1Nc1ncccc1S(C)(=O)=O.CS(=O)(=O)c1cccnc1N
InChIInChI=1S/C22H24FN5O4S.C16H17ClFN3O2.C8H7Cl2NO.C8H11FN2O.C6H8N2O2S/c1-5-16(29)13-12-25-19(27-18-9-8-14(20(23)28-18)22(2,3)30)11-15(13)26-21-17(33(4,31)32)7-6-10-24-21;1-4-12(22)9-8-19-14(7-11(9)17)20-13-6-5-10(15(18)21-13)16(2,3)23;1-2-7(12)5-4-11-8(10)3-6(5)9;1-8(2,12)5-3-4-6(10)11-7(5)9;1-11(9,10)5-3-2-4-8-6(5)7/h6-12,30H,5H2,1-4H3,(H2,24,25,26,27,28);5-8,23H,4H2,1-3H3,(H,19,20,21);3-4H,2H2,1H3;3-4,12H,1-2H3,(H2,10,11);2-4H,1H3,(H2,7,8)
InChIKeyNKHYDXXRJQZMIX-UHFFFAOYSA-N
MW1357.76 g/mol
LogP11.63
Rot. Bonds17

About 2-(6-amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine

2-(6-amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine (PubChem CID 159805358) has the molecular formula C60H67Cl3F3N13O10S2 and a molecular weight of 1357.76 g/mol. Its IUPAC name is 2-(6-amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound Name2-(6-amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine
PubChem CID159805358
Molecular FormulaC60H67Cl3F3N13O10S2
Molecular Weight1357.76 g/mol
Exact Mass1355.36
IUPAC Name2-(6-amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine
SMILESCC(C)(O)c1ccc(N)nc1F.CCC(=O)c1cnc(Cl)cc1Cl.CCC(=O)c1cnc(Nc2ccc(C(C)(C)O)c(F)n2)cc1Cl.CCC(=O)c1cnc(Nc2ccc(C(C)(C)O)c(F)n2)cc1Nc1ncccc1S(C)(=O)=O.CS(=O)(=O)c1cccnc1N
InChIInChI=1S/C22H24FN5O4S.C16H17ClFN3O2.C8H7Cl2NO.C8H11FN2O.C6H8N2O2S/c1-5-16(29)13-12-25-19(27-18-9-8-14(20(23)28-18)22(2,3)30)11-15(13)26-21-17(33(4,31)32)7-6-10-24-21;1-4-12(22)9-8-19-14(7-11(9)17)20-13-6-5-10(15(18)21-13)16(2,3)23;1-2-7(12)5-4-11-8(10)3-6(5)9;1-8(2,12)5-3-4-6(10)11-7(5)9;1-11(9,10)5-3-2-4-8-6(5)7/h6-12,30H,5H2,1-4H3,(H2,24,25,26,27,28);5-8,23H,4H2,1-3H3,(H,19,20,21);3-4H,2H2,1H3;3-4,12H,1-2H3,(H2,10,11);2-4H,1H3,(H2,7,8)
InChIKeyNKHYDXXRJQZMIX-UHFFFAOYSA-N
XLogP11.63
TPSA371.43 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds17
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001357.76
LogP ≤ 511.63
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 2-(6-amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine 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-[6-[[6-Fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one
CID 153571135
US12351572, Example 159
CID 153571289
1-[6-[[6-Fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-(2-methylsulfonylanilino)-3-pyridinyl]propan-1-one
CID 155279471
US12351572, Example 126
CID 153571223
3,3,3-Trideuterio-1-[6-[[6-fluoro-5-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one
CID 155639595
3,3,3-Trideuterio-1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one
CID 155639622
lithium;bis(trimethylsilyl)azanide;6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;4,6-dichloro-N-methylpyridine-3-carboxamide;5-fluoropyridin-2-amine;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridine-3-carboxamide;6-[(5-fluoro-2-pyridinyl)amino]-N-methyl-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridine-3-carboxamide;3-methylsulfanylpyridin-2-amine
CID 158138843
6-Chloro-4-(2-methylanilino)pyridine-3-carboxylic acid;4,6-dichloropyridine-3-carboxylic acid;5-fluoropyridin-2-amine;bis(6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylanilino)pyridine-3-carboxylic acid);2-methylsulfanylaniline;sulfur dioxide
CID 158179292
1-[4-Chloro-6-[(2,6-dimethylpyrimidin-4-yl)amino]-3-pyridinyl]-3,3,3-trideuteriopropan-1-one;2,6-dimethylpyrimidin-4-amine;1-[6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine;3,3,3-trideuterio-1-(4,6-dichloro-3-pyridinyl)propan-1-one
CID 158305760
2-(6-Amino-3-pyridinyl)propan-2-ol;tris([6-chloro-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]-cyclopropylmethanone);cyclopropyl-(4,6-dichloro-3-pyridinyl)methanone;cyclopropyl-[6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methyl-2-pyridinyl)amino]-3-pyridinyl]methanone;3-methylpyridin-2-amine;tris(sulfur dioxide)
CID 158323137
2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride
CID 158673684
1-[6-[[6-Fluoro-5-(1,1,1-trideuterio-2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one
CID 158690166

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine?
The IUPAC name of 2-(6-amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine (CID 159805358) is 2-(6-amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine.
What is the SMILES notation for 2-(6-amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine?
The canonical SMILES for 2-(6-amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine is CC(C)(O)c1ccc(N)nc1F.CCC(=O)c1cnc(Cl)cc1Cl.CCC(=O)c1cnc(Nc2ccc(C(C)(C)O)c(F)n2)cc1Cl.CCC(=O)c1cnc(Nc2ccc(C(C)(C)O)c(F)n2)cc1Nc1ncccc1S(C)(=O)=O.CS(=O)(=O)c1cccnc1N.
What is the InChIKey of 2-(6-amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine?
The InChIKey is NKHYDXXRJQZMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O4S.C16H17ClFN3O2.C8H7Cl2NO.C8H11FN2O.C6H8N2O2S/c1-5-16(29)13-12-25-19(27-18-9-8-14(20(23)28-18)22(2,3)30)11-15(13)26-21-17(33(4,31)32)7-6-10-24-21;1-4-12(22)9-8-19-14(7-11(9)17)20-13-6-5-10(15(18)21-13)16(2,3)23;1-2-7(12)5-4-11-8(10)3-6(5)9;1-8(2,12)5-3-4-6(10)11-7(5)9;1-11(9,10)5-3-2-4-8-6(5)7/h6-12,30H,5H2,1-4H3,(H2,24,25,26,27,28);5-8,23H,4H2,1-3H3,(H,19,20,21);3-4H,2H2,1H3;3-4,12H,1-2H3,(H2,10,11);2-4H,1H3,(H2,7,8).
What are the key properties of 2-(6-amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine?
2-(6-amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine has a molecular weight of 1357.76 g/mol, XLogP of 11.63, 17 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-fluoro-3-pyridinyl)propan-2-ol;1-[4-chloro-6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-3-pyridinyl]propan-1-one;1-(4,6-dichloro-3-pyridinyl)propan-1-one;1-[6-[[6-fluoro-5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]-3-pyridinyl]propan-1-one;3-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 159805358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).