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

C51H61Cl3N16O7S2 — CID 158488433

About 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

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 (PubChem CID 158488433) has the molecular formula C51H61Cl3N16O7S2 and a molecular weight of 1180.65 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158488433
• Molecular Formula: C51H61Cl3N16O7S2
• Molecular Weight: 1180.65 g/mol
• Exact Mass: 1178.34
• IUPAC Name: 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
• SMILES: CCC(=O)c1cnc(Cl)cc1Cl.CCC(=O)c1cnc(Nc2cc(C)n(C)n2)cc1Cl.CCC(=O)c1cnc(Nc2cc(C)n(C)n2)cc1Nc1ncccc1S(C)(=O)=O.CS(=O)(=O)c1cccnc1N.Cc1cc(N)nn1C
• InChI: InChI=1S/C19H22N6O3S.C13H15ClN4O.C8H7Cl2NO.C6H8N2O2S.C5H9N3/c1-5-15(26)13-11-21-17(23-18-9-12(2)25(3)24-18)10-14(13)22-19-16(29(4,27)28)7-6-8-20-19;1-4-11(19)9-7-15-12(6-10(9)14)16-13-5-8(2)18(3)17-13;1-2-7(12)5-4-11-8(10)3-6(5)9;1-11(9,10)5-3-2-4-8-6(5)7;1-4-3-5(6)7-8(4)2/h6-11H,5H2,1-4H3,(H2,20,21,22,23,24);5-7H,4H2,1-3H3,(H,15,16,17);3-4H,2H2,1H3;2-4H,1H3,(H2,7,8);3H,1-2H3,(H2,6,7)
• InChIKey: HIJVXJCKVFHFDS-UHFFFAOYSA-N
• XLogP: 9.47
• TPSA: 325.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 14
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1180.65
LogP ≤ 5	9.47
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCC(=O)c1cnc(Cl)cc1Cl.CCC(=O)c1cnc(Nc2cc(C)n(C)n2)cc1Cl.CCC(=O)c1cnc(Nc2cc(C)n(C)n2)cc1Nc1ncccc1S(C)(=O)=O.CS(=O)(=O)c1cccnc1N.Cc1cc(N)nn1C.

What is the InChIKey of 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?

The InChIKey is HIJVXJCKVFHFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S.C13H15ClN4O.C8H7Cl2NO.C6H8N2O2S.C5H9N3/c1-5-15(26)13-11-21-17(23-18-9-12(2)25(3)24-18)10-14(13)22-19-16(29(4,27)28)7-6-8-20-19;1-4-11(19)9-7-15-12(6-10(9)14)16-13-5-8(2)18(3)17-13;1-2-7(12)5-4-11-8(10)3-6(5)9;1-11(9,10)5-3-2-4-8-6(5)7;1-4-3-5(6)7-8(4)2/h6-11H,5H2,1-4H3,(H2,20,21,22,23,24);5-7H,4H2,1-3H3,(H,15,16,17);3-4H,2H2,1H3;2-4H,1H3,(H2,7,8);3H,1-2H3,(H2,6,7).

What are the key properties of 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?

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 has a molecular weight of 1180.65 g/mol, XLogP of 9.47, 14 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158488433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).