8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5H-pyrimido[5,4-b]indol-4-one

C15H13N5O2 — CID 50743496

IUPAC8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5H-pyrimido[5,4-b]indol-4-one
SMILESCc1ccc2[nH]c3c(=O)n(Cc4nc(C)no4)cnc3c2c1
InChIInChI=1S/C15H13N5O2/c1-8-3-4-11-10(5-8)13-14(18-11)15(21)20(7-16-13)6-12-17-9(2)19-22-12/h3-5,7,18H,6H2,1-2H3
InChIKeyIBBSPYJQKBKRDM-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.93
Rot. Bonds2

About 8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5H-pyrimido[5,4-b]indol-4-one

8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5H-pyrimido[5,4-b]indol-4-one (PubChem CID 50743496) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5H-pyrimido[5,4-b]indol-4-one.

Molecular Properties

Compound Name8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5H-pyrimido[5,4-b]indol-4-one
PubChem CID50743496
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5H-pyrimido[5,4-b]indol-4-one
SMILESCc1ccc2[nH]c3c(=O)n(Cc4nc(C)no4)cnc3c2c1
InChIInChI=1S/C15H13N5O2/c1-8-3-4-11-10(5-8)13-14(18-11)15(21)20(7-16-13)6-12-17-9(2)19-22-12/h3-5,7,18H,6H2,1-2H3
InChIKeyIBBSPYJQKBKRDM-UHFFFAOYSA-N
XLogP1.93
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5H-pyrimido[5,4-b]indol-4-one?
The IUPAC name of 8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5H-pyrimido[5,4-b]indol-4-one (CID 50743496) is 8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5H-pyrimido[5,4-b]indol-4-one.
What is the SMILES notation for 8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5H-pyrimido[5,4-b]indol-4-one?
The canonical SMILES for 8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5H-pyrimido[5,4-b]indol-4-one is Cc1ccc2[nH]c3c(=O)n(Cc4nc(C)no4)cnc3c2c1.
What is the InChIKey of 8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5H-pyrimido[5,4-b]indol-4-one?
The InChIKey is IBBSPYJQKBKRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-8-3-4-11-10(5-8)13-14(18-11)15(21)20(7-16-13)6-12-17-9(2)19-22-12/h3-5,7,18H,6H2,1-2H3.
What are the key properties of 8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5H-pyrimido[5,4-b]indol-4-one?
8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5H-pyrimido[5,4-b]indol-4-one has a molecular weight of 295.30 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5H-pyrimido[5,4-b]indol-4-one is sourced from PubChem (CID 50743496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).