methane;methanol;4-[6-methoxy-2-methyl-4-[4-(4-methylpiperazin-1-yl)naphthalen-1-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(4-piperazin-1-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

C66H74N12O5 — CID 158020150

About methane;methanol;4-[6-methoxy-2-methyl-4-[4-(4-methylpiperazin-1-yl)naphthalen-1-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(4-piperazin-1-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

methane;methanol;4-[6-methoxy-2-methyl-4-[4-(4-methylpiperazin-1-yl)naphthalen-1-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(4-piperazin-1-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158020150) has the molecular formula C66H74N12O5 and a molecular weight of 1115.40 g/mol. Its IUPAC name is methane;methanol;4-[6-methoxy-2-methyl-4-[4-(4-methylpiperazin-1-yl)naphthalen-1-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(4-piperazin-1-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: methane;methanol;4-[6-methoxy-2-methyl-4-[4-(4-methylpiperazin-1-yl)naphthalen-1-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(4-piperazin-1-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 158020150
• Molecular Formula: C66H74N12O5
• Molecular Weight: 1115.40 g/mol
• Exact Mass: 1114.59
• IUPAC Name: methane;methanol;4-[6-methoxy-2-methyl-4-[4-(4-methylpiperazin-1-yl)naphthalen-1-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(4-piperazin-1-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: C.C.CO.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(N4CCN(C)CC4)c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(N4CCNCC4)c4ccccc34)c12
• InChI: InChI=1S/C32H32N6O2.C31H30N6O2.CH4O.2CH4/c1-18-29(19(2)40-36-18)25-16-26-24(17-28(25)39-5)30-31(33-20(3)34-32(30)35-26)23-10-11-27(22-9-7-6-8-21(22)23)38-14-12-37(4)13-15-38;1-17-28(18(2)39-36-17)24-15-25-23(16-27(24)38-4)29-30(33-19(3)34-31(29)35-25)22-9-10-26(37-13-11-32-12-14-37)21-8-6-5-7-20(21)22;1-2;;/h6-11,16-17H,12-15H2,1-5H3,(H,33,34,35);5-10,15-16,32H,11-14H2,1-4H3,(H,33,34,35);2H,1H3;2*1H4
• InChIKey: FFYPWLWXCNVTRU-UHFFFAOYSA-N
• XLogP: 13.08
• TPSA: 195.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1115.40
LogP ≤ 5	13.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of methane;methanol;4-[6-methoxy-2-methyl-4-[4-(4-methylpiperazin-1-yl)naphthalen-1-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(4-piperazin-1-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of methane;methanol;4-[6-methoxy-2-methyl-4-[4-(4-methylpiperazin-1-yl)naphthalen-1-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(4-piperazin-1-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 158020150) is methane;methanol;4-[6-methoxy-2-methyl-4-[4-(4-methylpiperazin-1-yl)naphthalen-1-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(4-piperazin-1-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for methane;methanol;4-[6-methoxy-2-methyl-4-[4-(4-methylpiperazin-1-yl)naphthalen-1-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(4-piperazin-1-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for methane;methanol;4-[6-methoxy-2-methyl-4-[4-(4-methylpiperazin-1-yl)naphthalen-1-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(4-piperazin-1-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is C.C.CO.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(N4CCN(C)CC4)c4ccccc34)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(N4CCNCC4)c4ccccc34)c12.

What is the InChIKey of methane;methanol;4-[6-methoxy-2-methyl-4-[4-(4-methylpiperazin-1-yl)naphthalen-1-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(4-piperazin-1-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is FFYPWLWXCNVTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O2.C31H30N6O2.CH4O.2CH4/c1-18-29(19(2)40-36-18)25-16-26-24(17-28(25)39-5)30-31(33-20(3)34-32(30)35-26)23-10-11-27(22-9-7-6-8-21(22)23)38-14-12-37(4)13-15-38;1-17-28(18(2)39-36-17)24-15-25-23(16-27(24)38-4)29-30(33-19(3)34-31(29)35-25)22-9-10-26(37-13-11-32-12-14-37)21-8-6-5-7-20(21)22;1-2;;/h6-11,16-17H,12-15H2,1-5H3,(H,33,34,35);5-10,15-16,32H,11-14H2,1-4H3,(H,33,34,35);2H,1H3;2*1H4.

What are the key properties of methane;methanol;4-[6-methoxy-2-methyl-4-[4-(4-methylpiperazin-1-yl)naphthalen-1-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(4-piperazin-1-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?

methane;methanol;4-[6-methoxy-2-methyl-4-[4-(4-methylpiperazin-1-yl)naphthalen-1-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(4-piperazin-1-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1115.40 g/mol, XLogP of 13.08, 8 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for methane;methanol;4-[6-methoxy-2-methyl-4-[4-(4-methylpiperazin-1-yl)naphthalen-1-yl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[6-methoxy-2-methyl-4-(4-piperazin-1-ylnaphthalen-1-yl)-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158020150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).