carbanide;7,9-dimethylpurin-8-one;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;octakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);hexadecakis(yttrium)

C191H276N22O20Y16-16 — CID 161000207

IUPACcarbanide;7,9-dimethylpurin-8-one;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;octakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);hexadecakis(yttrium)
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2ccoc12.CC(C)c1cccc2ccoc12.CC(C)c1cccc2occc12.CC(C)c1cccc2occc12.CN1C(=O)Cc2cncnc21.CN1C(=O)Cc2ncccc21.CN1C(=O)Cc2ncncc21.Cn1c(=O)n(C)c2ncncc21.Cn1c(=O)oc2cnccc21.Cn1c(=O)oc2cncnc21.Cn1c(=O)oc2ncccc21.Cn1c(=O)oc2ncncc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/8C11H12O.C8H8N2O.C7H8N4O.2C7H7N3O.2C7H6N2O2.2C6H5N3O2.8C4H10.16CH3.16Y/c2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-10-7-3-2-4-9-6(7)5-8(10)11;1-10-5-3-8-4-9-6(5)11(2)7(10)12;1-10-6-3-8-4-9-5(6)2-7(10)11;1-10-6(11)2-5-3-8-4-9-7(5)10;1-9-5-2-3-8-4-6(5)11-7(9)10;1-9-5-3-2-4-8-6(5)11-7(9)10;1-9-5-4(11-6(9)10)2-7-3-8-5;1-9-4-2-7-3-8-5(4)11-6(9)10;8*1-4(2)3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h8*3-8H,1-2H3;2-4H,5H2,1H3;3-4H,1-2H3;2*3-4H,2H2,1H3;2*2-4H,1H3;2*2-3H,1H3;8*4H,1-3H3;16*1H3;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;16*-1;;;;;;;;;;;;;;;;
InChIKeyOLUHYSBJMJLQHU-UHFFFAOYSA-N
MW4622.94 g/mol
LogP50.07
Rot. Bonds8

About carbanide;7,9-dimethylpurin-8-one;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;octakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);hexadecakis(yttrium)

carbanide;7,9-dimethylpurin-8-one;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;octakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);hexadecakis(yttrium) (PubChem CID 161000207) has the molecular formula C191H276N22O20Y16-16 and a molecular weight of 4622.94 g/mol. Its IUPAC name is carbanide;7,9-dimethylpurin-8-one;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;octakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);hexadecakis(yttrium).

Molecular Properties

Compound Namecarbanide;7,9-dimethylpurin-8-one;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;octakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);hexadecakis(yttrium)
PubChem CID161000207
Molecular FormulaC191H276N22O20Y16-16
Molecular Weight4622.94 g/mol
Exact Mass4620.63
IUPAC Namecarbanide;7,9-dimethylpurin-8-one;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;octakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);hexadecakis(yttrium)
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2ccoc12.CC(C)c1cccc2ccoc12.CC(C)c1cccc2occc12.CC(C)c1cccc2occc12.CN1C(=O)Cc2cncnc21.CN1C(=O)Cc2ncccc21.CN1C(=O)Cc2ncncc21.Cn1c(=O)n(C)c2ncncc21.Cn1c(=O)oc2cnccc21.Cn1c(=O)oc2cncnc21.Cn1c(=O)oc2ncccc21.Cn1c(=O)oc2ncncc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/8C11H12O.C8H8N2O.C7H8N4O.2C7H7N3O.2C7H6N2O2.2C6H5N3O2.8C4H10.16CH3.16Y/c2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-10-7-3-2-4-9-6(7)5-8(10)11;1-10-5-3-8-4-9-6(5)11(2)7(10)12;1-10-6-3-8-4-9-5(6)2-7(10)11;1-10-6(11)2-5-3-8-4-9-7(5)10;1-9-5-2-3-8-4-6(5)11-7(9)10;1-9-5-3-2-4-8-6(5)11-7(9)10;1-9-5-4(11-6(9)10)2-7-3-8-5;1-9-4-2-7-3-8-5(4)11-6(9)10;8*1-4(2)3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h8*3-8H,1-2H3;2-4H,5H2,1H3;3-4H,1-2H3;2*3-4H,2H2,1H3;2*2-4H,1H3;2*2-3H,1H3;8*4H,1-3H3;16*1H3;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;16*-1;;;;;;;;;;;;;;;;
InChIKeyOLUHYSBJMJLQHU-UHFFFAOYSA-N
XLogP50.07
TPSA501.11 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds8
Heavy Atoms249
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004622.94
LogP ≤ 550.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze carbanide;7,9-dimethylpurin-8-one;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;octakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);hexadecakis(yttrium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;7,9-dimethylpurin-8-one;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;octakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);hexadecakis(yttrium)?
The IUPAC name of carbanide;7,9-dimethylpurin-8-one;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;octakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);hexadecakis(yttrium) (CID 161000207) is carbanide;7,9-dimethylpurin-8-one;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;octakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);hexadecakis(yttrium).
What is the SMILES notation for carbanide;7,9-dimethylpurin-8-one;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;octakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);hexadecakis(yttrium)?
The canonical SMILES for carbanide;7,9-dimethylpurin-8-one;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;octakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);hexadecakis(yttrium) is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2ccoc2c1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2occc2c1.CC(C)c1cccc2ccoc12.CC(C)c1cccc2ccoc12.CC(C)c1cccc2occc12.CC(C)c1cccc2occc12.CN1C(=O)Cc2cncnc21.CN1C(=O)Cc2ncccc21.CN1C(=O)Cc2ncncc21.Cn1c(=O)n(C)c2ncncc21.Cn1c(=O)oc2cnccc21.Cn1c(=O)oc2cncnc21.Cn1c(=O)oc2ncccc21.Cn1c(=O)oc2ncncc21.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of carbanide;7,9-dimethylpurin-8-one;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;octakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);hexadecakis(yttrium)?
The InChIKey is OLUHYSBJMJLQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/8C11H12O.C8H8N2O.C7H8N4O.2C7H7N3O.2C7H6N2O2.2C6H5N3O2.8C4H10.16CH3.16Y/c2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;2*1-8(2)10-4-3-9-5-6-12-11(9)7-10;2*1-8(2)9-4-3-5-11-10(9)6-7-12-11;2*1-8(2)10-5-3-4-9-6-7-12-11(9)10;1-10-7-3-2-4-9-6(7)5-8(10)11;1-10-5-3-8-4-9-6(5)11(2)7(10)12;1-10-6-3-8-4-9-5(6)2-7(10)11;1-10-6(11)2-5-3-8-4-9-7(5)10;1-9-5-2-3-8-4-6(5)11-7(9)10;1-9-5-3-2-4-8-6(5)11-7(9)10;1-9-5-4(11-6(9)10)2-7-3-8-5;1-9-4-2-7-3-8-5(4)11-6(9)10;8*1-4(2)3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h8*3-8H,1-2H3;2-4H,5H2,1H3;3-4H,1-2H3;2*3-4H,2H2,1H3;2*2-4H,1H3;2*2-3H,1H3;8*4H,1-3H3;16*1H3;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;16*-1;;;;;;;;;;;;;;;;.
What are the key properties of carbanide;7,9-dimethylpurin-8-one;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;octakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);hexadecakis(yttrium)?
carbanide;7,9-dimethylpurin-8-one;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;octakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);hexadecakis(yttrium) has a molecular weight of 4622.94 g/mol, XLogP of 50.07, 8 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;7,9-dimethylpurin-8-one;1-methyl-[1,3]oxazolo[5,4-b]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-c]pyridin-2-one;1-methyl-[1,3]oxazolo[5,4-d]pyrimidin-2-one;3-methyl-[1,3]oxazolo[4,5-d]pyrimidin-2-one;octakis(2-methylpropane);1-methyl-3H-pyrrolo[3,2-b]pyridin-2-one;5-methyl-7H-pyrrolo[3,2-d]pyrimidin-6-one;7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;bis(4-propan-2-yl-1-benzofuran);bis(5-propan-2-yl-1-benzofuran);bis(6-propan-2-yl-1-benzofuran);bis(7-propan-2-yl-1-benzofuran);hexadecakis(yttrium) is sourced from PubChem (CID 161000207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).