1-[3-chloro-4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol;tris(1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol);1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol

C154H183Cl7N38O6 — CID 157148166

About 1-[3-chloro-4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol;tris(1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol);1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol

1-[3-chloro-4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol;tris(1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol);1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 157148166) has the molecular formula C154H183Cl7N38O6 and a molecular weight of 2910.59 g/mol. Its IUPAC name is 1-[3-chloro-4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol;tris(1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol);1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[3-chloro-4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol;tris(1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol);1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol
• PubChem CID: 157148166
• Molecular Formula: C154H183Cl7N38O6
• Molecular Weight: 2910.59 g/mol
• Exact Mass: 2905.30
• IUPAC Name: 1-[3-chloro-4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol;tris(1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol);1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol
• SMILES: Cc1cc(CCCNc2ccnc3cc(Cl)ccc23)nc(Nc2c(C)nn(CC(C)(C)O)c2C)n1.Cc1cc(CCCNc2ccnc3cc(Cl)ccc23)nc(Nc2c(Cl)nn(CC(C)(C)O)c2C)n1.Cc1nn(CC(C)(C)O)c(C)c1Nc1cccc(CCCNc2ccnc3cc(Cl)ccc23)n1.Cc1nn(CC(C)(C)O)c(C)c1Nc1cccc(CCCNc2ccnc3cc(Cl)ccc23)n1.Cc1nn(CC(C)(C)O)c(C)c1Nc1cccc(CCCNc2ccnc3cc(Cl)ccc23)n1.Cc1nn(CC(C)(C)O)cc1Nc1cccc(CCCNc2ccnc3cc(Cl)ccc23)n1
• InChI: InChI=1S/C26H32ClN7O.3C26H31ClN6O.C25H29Cl2N7O.C25H29ClN6O/c1-16-13-20(7-6-11-28-22-10-12-29-23-14-19(27)8-9-21(22)23)31-25(30-16)32-24-17(2)33-34(18(24)3)15-26(4,5)35;3*1-17-25(18(2)33(32-17)16-26(3,4)34)31-24-9-5-7-20(30-24)8-6-13-28-22-12-14-29-23-15-19(27)10-11-21(22)23;1-15-12-18(6-5-10-28-20-9-11-29-21-13-17(26)7-8-19(20)21)31-24(30-15)32-22-16(2)34(33-23(22)27)14-25(3,4)35;1-17-23(15-32(31-17)16-25(2,3)33)30-24-8-4-6-19(29-24)7-5-12-27-21-11-13-28-22-14-18(26)9-10-20(21)22/h8-10,12-14,35H,6-7,11,15H2,1-5H3,(H,28,29)(H,30,31,32);3*5,7,9-12,14-15,34H,6,8,13,16H2,1-4H3,(H,28,29)(H,30,31);7-9,11-13,35H,5-6,10,14H2,1-4H3,(H,28,29)(H,30,31,32);4,6,8-11,13-15,33H,5,7,12,16H2,1-3H3,(H,27,28)(H,29,30)
• InChIKey: AKYFEKBSRCNJTI-UHFFFAOYSA-N
• XLogP: 33.38
• TPSA: 553.12 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 44
• Rotatable Bonds: 54
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2910.59
LogP ≤ 5	33.38
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol;tris(1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol);1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol?

The IUPAC name of 1-[3-chloro-4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol;tris(1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol);1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol (CID 157148166) is 1-[3-chloro-4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol;tris(1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol);1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol.

What is the SMILES notation for 1-[3-chloro-4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol;tris(1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol);1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol?

The canonical SMILES for 1-[3-chloro-4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol;tris(1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol);1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol is Cc1cc(CCCNc2ccnc3cc(Cl)ccc23)nc(Nc2c(C)nn(CC(C)(C)O)c2C)n1.Cc1cc(CCCNc2ccnc3cc(Cl)ccc23)nc(Nc2c(Cl)nn(CC(C)(C)O)c2C)n1.Cc1nn(CC(C)(C)O)c(C)c1Nc1cccc(CCCNc2ccnc3cc(Cl)ccc23)n1.Cc1nn(CC(C)(C)O)c(C)c1Nc1cccc(CCCNc2ccnc3cc(Cl)ccc23)n1.Cc1nn(CC(C)(C)O)c(C)c1Nc1cccc(CCCNc2ccnc3cc(Cl)ccc23)n1.Cc1nn(CC(C)(C)O)cc1Nc1cccc(CCCNc2ccnc3cc(Cl)ccc23)n1.

What is the InChIKey of 1-[3-chloro-4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol;tris(1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol);1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol?

The InChIKey is AKYFEKBSRCNJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN7O.3C26H31ClN6O.C25H29Cl2N7O.C25H29ClN6O/c1-16-13-20(7-6-11-28-22-10-12-29-23-14-19(27)8-9-21(22)23)31-25(30-16)32-24-17(2)33-34(18(24)3)15-26(4,5)35;3*1-17-25(18(2)33(32-17)16-26(3,4)34)31-24-9-5-7-20(30-24)8-6-13-28-22-12-14-29-23-15-19(27)10-11-21(22)23;1-15-12-18(6-5-10-28-20-9-11-29-21-13-17(26)7-8-19(20)21)31-24(30-15)32-22-16(2)34(33-23(22)27)14-25(3,4)35;1-17-23(15-32(31-17)16-25(2,3)33)30-24-8-4-6-19(29-24)7-5-12-27-21-11-13-28-22-14-18(26)9-10-20(21)22/h8-10,12-14,35H,6-7,11,15H2,1-5H3,(H,28,29)(H,30,31,32);3*5,7,9-12,14-15,34H,6,8,13,16H2,1-4H3,(H,28,29)(H,30,31);7-9,11-13,35H,5-6,10,14H2,1-4H3,(H,28,29)(H,30,31,32);4,6,8-11,13-15,33H,5,7,12,16H2,1-3H3,(H,27,28)(H,29,30).

What are the key properties of 1-[3-chloro-4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol;tris(1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol);1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol?

1-[3-chloro-4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol;tris(1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol);1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 2910.59 g/mol, XLogP of 33.38, 54 rotatable bonds, 18 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-2-methylpropan-2-ol;1-[4-[[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-methylpyrimidin-2-yl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol;tris(1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3,5-dimethylpyrazol-1-yl]-2-methylpropan-2-ol);1-[4-[[6-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-pyridinyl]amino]-3-methylpyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 157148166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).