bis(1-[4-[8-[(5-chloro-1H-indazol-4-yl)oxy]-6-methylpyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one);1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

C89H82Cl3N27O8 — CID 157153867

About bis(1-[4-[8-[(5-chloro-1H-indazol-4-yl)oxy]-6-methylpyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one);1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one

bis(1-[4-[8-[(5-chloro-1H-indazol-4-yl)oxy]-6-methylpyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one);1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (PubChem CID 157153867) has the molecular formula C89H82Cl3N27O8 and a molecular weight of 1764.17 g/mol. Its IUPAC name is bis(1-[4-[8-[(5-chloro-1H-indazol-4-yl)oxy]-6-methylpyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one);1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

• Compound Name: bis(1-[4-[8-[(5-chloro-1H-indazol-4-yl)oxy]-6-methylpyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one);1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
• PubChem CID: 157153867
• Molecular Formula: C89H82Cl3N27O8
• Molecular Weight: 1764.17 g/mol
• Exact Mass: 1761.59
• IUPAC Name: bis(1-[4-[8-[(5-chloro-1H-indazol-4-yl)oxy]-6-methylpyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one);1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCN(c2ncnc3c(Oc4c(C)ccc5[nH]ncc45)cccc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(Oc4c(Cl)c(C)cc5[nH]ncc45)nccc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(Oc4c(Cl)ccc5[nH]ncc45)nc(C)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(Oc4c(Cl)ccc5[nH]ncc45)nc(C)cc23)CC1
• InChI: InChI=1S/C23H22N6O2.3C22H20ClN7O2/c1-3-20(30)28-9-11-29(12-10-28)23-16-5-4-6-19(21(16)24-14-25-23)31-22-15(2)7-8-18-17(22)13-26-27-18;2*1-3-18(31)29-6-8-30(9-7-29)21-14-10-13(2)27-22(19(14)24-12-25-21)32-20-15-11-26-28-17(15)5-4-16(20)23;1-3-17(31)29-6-8-30(9-7-29)21-14-4-5-24-22(19(14)25-12-26-21)32-20-15-11-27-28-16(15)10-13(2)18(20)23/h3-8,13-14H,1,9-12H2,2H3,(H,26,27);2*3-5,10-12H,1,6-9H2,2H3,(H,26,28);3-5,10-12H,1,6-9H2,2H3,(H,27,28)
• InChIKey: ALOQRCWZYSRRGJ-UHFFFAOYSA-N
• XLogP: 13.91
• TPSA: 387.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1764.17
LogP ≤ 5	13.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1-[4-[8-[(5-chloro-1H-indazol-4-yl)oxy]-6-methylpyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one);1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The IUPAC name of bis(1-[4-[8-[(5-chloro-1H-indazol-4-yl)oxy]-6-methylpyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one);1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one (CID 157153867) is bis(1-[4-[8-[(5-chloro-1H-indazol-4-yl)oxy]-6-methylpyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one);1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one.

What is the SMILES notation for bis(1-[4-[8-[(5-chloro-1H-indazol-4-yl)oxy]-6-methylpyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one);1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The canonical SMILES for bis(1-[4-[8-[(5-chloro-1H-indazol-4-yl)oxy]-6-methylpyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one);1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCN(c2ncnc3c(Oc4c(C)ccc5[nH]ncc45)cccc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(Oc4c(Cl)c(C)cc5[nH]ncc45)nccc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(Oc4c(Cl)ccc5[nH]ncc45)nc(C)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(Oc4c(Cl)ccc5[nH]ncc45)nc(C)cc23)CC1.

What is the InChIKey of bis(1-[4-[8-[(5-chloro-1H-indazol-4-yl)oxy]-6-methylpyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one);1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

The InChIKey is ALOQRCWZYSRRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2.3C22H20ClN7O2/c1-3-20(30)28-9-11-29(12-10-28)23-16-5-4-6-19(21(16)24-14-25-23)31-22-15(2)7-8-18-17(22)13-26-27-18;2*1-3-18(31)29-6-8-30(9-7-29)21-14-10-13(2)27-22(19(14)24-12-25-21)32-20-15-11-26-28-17(15)5-4-16(20)23;1-3-17(31)29-6-8-30(9-7-29)21-14-4-5-24-22(19(14)25-12-26-21)32-20-15-11-27-28-16(15)10-13(2)18(20)23/h3-8,13-14H,1,9-12H2,2H3,(H,26,27);2*3-5,10-12H,1,6-9H2,2H3,(H,26,28);3-5,10-12H,1,6-9H2,2H3,(H,27,28).

What are the key properties of bis(1-[4-[8-[(5-chloro-1H-indazol-4-yl)oxy]-6-methylpyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one);1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one?

bis(1-[4-[8-[(5-chloro-1H-indazol-4-yl)oxy]-6-methylpyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one);1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one has a molecular weight of 1764.17 g/mol, XLogP of 13.91, 16 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[4-[8-[(5-chloro-1H-indazol-4-yl)oxy]-6-methylpyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one);1-[4-[8-[(5-chloro-6-methyl-1H-indazol-4-yl)oxy]pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one;1-[4-[8-[(5-methyl-1H-indazol-4-yl)oxy]quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 157153867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).