1-[2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide;1-[2-[[5-chloro-2-[(2-ethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-methoxybenzamide;2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide

C110H128Cl5N31O12 — CID 160966150

About 1-[2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide;1-[2-[[5-chloro-2-[(2-ethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-methoxybenzamide;2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide

1-[2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide;1-[2-[[5-chloro-2-[(2-ethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-methoxybenzamide;2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide (PubChem CID 160966150) has the molecular formula C110H128Cl5N31O12 and a molecular weight of 2253.70 g/mol. Its IUPAC name is 1-[2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide;1-[2-[[5-chloro-2-[(2-ethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-methoxybenzamide;2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide.

Molecular Properties

• Compound Name: 1-[2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide;1-[2-[[5-chloro-2-[(2-ethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-methoxybenzamide;2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
• PubChem CID: 160966150
• Molecular Formula: C110H128Cl5N31O12
• Molecular Weight: 2253.70 g/mol
• Exact Mass: 2249.88
• IUPAC Name: 1-[2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide;1-[2-[[5-chloro-2-[(2-ethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-methoxybenzamide;2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
• SMILES: CC(=O)c1cc(N2CCN(CCO)CC2)ccc1Nc1cc(Nc2cc(C)nn2C)ncc1Cl.CCn1nccc1Nc1cc(Nc2ccc(N3CCN(CCO)CC3)cc2C(C)=O)c(Cl)cn1.CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl.CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C)ncc1Cl.CONC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl
• InChI: InChI=1S/2C24H30ClN7O2.C24H26ClN5O4.C20H23ClN6O2.C18H19ClN6O2/c1-16-12-24(30(3)29-16)28-23-14-22(20(25)15-26-23)27-21-5-4-18(13-19(21)17(2)34)32-8-6-31(7-9-32)10-11-33;1-3-32-24(6-7-27-32)29-23-15-22(20(25)16-26-23)28-21-5-4-18(14-19(21)17(2)34)31-10-8-30(9-11-31)12-13-33;1-32-22-13-16(30-9-11-34-12-10-30)7-8-20(22)28-23-14-21(18(25)15-26-23)27-19-6-4-3-5-17(19)24(31)29-33-2;1-12(2)27-19(9-13(3)25-27)24-18-10-17(15(21)11-22-18)23-16-8-6-5-7-14(16)20(28)26-29-4;1-11-8-17(25(2)23-11)22-16-9-15(13(19)10-20-16)21-14-7-5-4-6-12(14)18(26)24-27-3/h4-5,12-15,33H,6-11H2,1-3H3,(H2,26,27,28);4-7,14-16,33H,3,8-13H2,1-2H3,(H2,26,28,29);3-8,13-15H,9-12H2,1-2H3,(H,29,31)(H2,26,27,28);5-12H,1-4H3,(H,26,28)(H2,22,23,24);4-10H,1-3H3,(H,24,26)(H2,20,21,22)
• InChIKey: SXQPJPDPSUHXAW-UHFFFAOYSA-N
• XLogP: 19.85
• TPSA: 480.28 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 40
• Rotatable Bonds: 38
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2253.70
LogP ≤ 5	19.85
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide;1-[2-[[5-chloro-2-[(2-ethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-methoxybenzamide;2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide?

The IUPAC name of 1-[2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide;1-[2-[[5-chloro-2-[(2-ethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-methoxybenzamide;2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide (CID 160966150) is 1-[2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide;1-[2-[[5-chloro-2-[(2-ethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-methoxybenzamide;2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide.

What is the SMILES notation for 1-[2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide;1-[2-[[5-chloro-2-[(2-ethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-methoxybenzamide;2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide?

The canonical SMILES for 1-[2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide;1-[2-[[5-chloro-2-[(2-ethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-methoxybenzamide;2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide is CC(=O)c1cc(N2CCN(CCO)CC2)ccc1Nc1cc(Nc2cc(C)nn2C)ncc1Cl.CCn1nccc1Nc1cc(Nc2ccc(N3CCN(CCO)CC3)cc2C(C)=O)c(Cl)cn1.CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl.CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C)ncc1Cl.CONC(=O)c1ccccc1Nc1cc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl.

What is the InChIKey of 1-[2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide;1-[2-[[5-chloro-2-[(2-ethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-methoxybenzamide;2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide?

The InChIKey is SXQPJPDPSUHXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H30ClN7O2.C24H26ClN5O4.C20H23ClN6O2.C18H19ClN6O2/c1-16-12-24(30(3)29-16)28-23-14-22(20(25)15-26-23)27-21-5-4-18(13-19(21)17(2)34)32-8-6-31(7-9-32)10-11-33;1-3-32-24(6-7-27-32)29-23-15-22(20(25)16-26-23)28-21-5-4-18(14-19(21)17(2)34)31-10-8-30(9-11-31)12-13-33;1-32-22-13-16(30-9-11-34-12-10-30)7-8-20(22)28-23-14-21(18(25)15-26-23)27-19-6-4-3-5-17(19)24(31)29-33-2;1-12(2)27-19(9-13(3)25-27)24-18-10-17(15(21)11-22-18)23-16-8-6-5-7-14(16)20(28)26-29-4;1-11-8-17(25(2)23-11)22-16-9-15(13(19)10-20-16)21-14-7-5-4-6-12(14)18(26)24-27-3/h4-5,12-15,33H,6-11H2,1-3H3,(H2,26,27,28);4-7,14-16,33H,3,8-13H2,1-2H3,(H2,26,28,29);3-8,13-15H,9-12H2,1-2H3,(H,29,31)(H2,26,27,28);5-12H,1-4H3,(H,26,28)(H2,22,23,24);4-10H,1-3H3,(H,24,26)(H2,20,21,22).

What are the key properties of 1-[2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide;1-[2-[[5-chloro-2-[(2-ethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-methoxybenzamide;2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide?

1-[2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide;1-[2-[[5-chloro-2-[(2-ethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-methoxybenzamide;2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide has a molecular weight of 2253.70 g/mol, XLogP of 19.85, 38 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide;1-[2-[[5-chloro-2-[(2-ethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-5-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]ethanone;2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-methoxybenzamide;2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide is sourced from PubChem (CID 160966150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).