2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide

C17H16N6O3 — CID 50830492

IUPAC2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide
SMILESCc1ccc2c(c1)c1ncn(Cc3nc(C)no3)c(=O)c1n2CC(N)=O
InChIInChI=1S/C17H16N6O3/c1-9-3-4-12-11(5-9)15-16(23(12)6-13(18)24)17(25)22(8-19-15)7-14-20-10(2)21-26-14/h3-5,8H,6-7H2,1-2H3,(H2,18,24)
InChIKeyOGMVSLMEAYWSIT-UHFFFAOYSA-N
MW352.35 g/mol
LogP0.88
Rot. Bonds4

About 2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide

2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide (PubChem CID 50830492) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide.

Molecular Properties

Compound Name2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide
PubChem CID50830492
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC Name2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide
SMILESCc1ccc2c(c1)c1ncn(Cc3nc(C)no3)c(=O)c1n2CC(N)=O
InChIInChI=1S/C17H16N6O3/c1-9-3-4-12-11(5-9)15-16(23(12)6-13(18)24)17(25)22(8-19-15)7-14-20-10(2)21-26-14/h3-5,8H,6-7H2,1-2H3,(H2,18,24)
InChIKeyOGMVSLMEAYWSIT-UHFFFAOYSA-N
XLogP0.88
TPSA121.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide?
The IUPAC name of 2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide (CID 50830492) is 2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide.
What is the SMILES notation for 2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide?
The canonical SMILES for 2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide is Cc1ccc2c(c1)c1ncn(Cc3nc(C)no3)c(=O)c1n2CC(N)=O.
What is the InChIKey of 2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide?
The InChIKey is OGMVSLMEAYWSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3/c1-9-3-4-12-11(5-9)15-16(23(12)6-13(18)24)17(25)22(8-19-15)7-14-20-10(2)21-26-14/h3-5,8H,6-7H2,1-2H3,(H2,18,24).
What are the key properties of 2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide?
2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide has a molecular weight of 352.35 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-4-oxopyrimido[5,4-b]indol-5-yl]acetamide is sourced from PubChem (CID 50830492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).