bis(1-[4-[8-(3-hydroxynaphthalen-1-yl)oxy-6-methylpyrido[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

C73H68N16O8 — CID 161087845

About bis(1-[4-[8-(3-hydroxynaphthalen-1-yl)oxy-6-methylpyrido[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-(3-hydroxynaphthalen-1-yl)oxy-6-methylpyrido[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 161087845) has the molecular formula C73H68N16O8 and a molecular weight of 1297.45 g/mol. Its IUPAC name is bis(1-[4-[8-(3-hydroxynaphthalen-1-yl)oxy-6-methylpyrido[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-(3-hydroxynaphthalen-1-yl)oxy-6-methylpyrido[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: 161087845
• Molecular Formula: C73H68N16O8
• Molecular Weight: 1297.45 g/mol
• Exact Mass: 1296.54
• IUPAC Name: bis(1-[4-[8-(3-hydroxynaphthalen-1-yl)oxy-6-methylpyrido[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(Oc4cc(O)cc5ccccc45)nc(C)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(Oc4cc(O)cc5ccccc45)nc(C)cc23)CC1
• InChI: InChI=1S/2C25H23N5O3.C23H22N6O2/c2*1-3-22(32)29-8-10-30(11-9-29)24-20-12-16(2)28-25(23(20)26-15-27-24)33-21-14-18(31)13-17-6-4-5-7-19(17)21;1-3-20(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/h2*3-7,12-15,31H,1,8-11H2,2H3;3-8,13-14H,1,9-12H2,2H3,(H,26,27)
• InChIKey: UGTNLOYJCYZDIA-UHFFFAOYSA-N
• XLogP: 11.08
• TPSA: 270.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1297.45
LogP ≤ 5	11.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

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-(3-hydroxynaphthalen-1-yl)oxy-6-methylpyrido[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-(3-hydroxynaphthalen-1-yl)oxy-6-methylpyrido[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 161087845) is bis(1-[4-[8-(3-hydroxynaphthalen-1-yl)oxy-6-methylpyrido[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-(3-hydroxynaphthalen-1-yl)oxy-6-methylpyrido[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-(3-hydroxynaphthalen-1-yl)oxy-6-methylpyrido[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(Oc4cc(O)cc5ccccc45)nc(C)cc23)CC1.C=CC(=O)N1CCN(c2ncnc3c(Oc4cc(O)cc5ccccc45)nc(C)cc23)CC1.

What is the InChIKey of bis(1-[4-[8-(3-hydroxynaphthalen-1-yl)oxy-6-methylpyrido[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 UGTNLOYJCYZDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H23N5O3.C23H22N6O2/c2*1-3-22(32)29-8-10-30(11-9-29)24-20-12-16(2)28-25(23(20)26-15-27-24)33-21-14-18(31)13-17-6-4-5-7-19(17)21;1-3-20(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/h2*3-7,12-15,31H,1,8-11H2,2H3;3-8,13-14H,1,9-12H2,2H3,(H,26,27).

What are the key properties of bis(1-[4-[8-(3-hydroxynaphthalen-1-yl)oxy-6-methylpyrido[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-(3-hydroxynaphthalen-1-yl)oxy-6-methylpyrido[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 1297.45 g/mol, XLogP of 11.08, 12 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[4-[8-(3-hydroxynaphthalen-1-yl)oxy-6-methylpyrido[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 161087845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).