3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one

C16H14N4O2 — CID 154819670

IUPAC3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCOc1ccc2[nH]c(Cn3cnc4cc[nH]c4c3=O)cc2c1
InChIInChI=1S/C16H14N4O2/c1-22-12-2-3-13-10(7-12)6-11(19-13)8-20-9-18-14-4-5-17-15(14)16(20)21/h2-7,9,17,19H,8H2,1H3
InChIKeyCZBLYCCIJWRVNI-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.26
Rot. Bonds3

About 3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one

3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 154819670) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
PubChem CID154819670
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
SMILESCOc1ccc2[nH]c(Cn3cnc4cc[nH]c4c3=O)cc2c1
InChIInChI=1S/C16H14N4O2/c1-22-12-2-3-13-10(7-12)6-11(19-13)8-20-9-18-14-4-5-17-15(14)16(20)21/h2-7,9,17,19H,8H2,1H3
InChIKeyCZBLYCCIJWRVNI-UHFFFAOYSA-N
XLogP2.26
TPSA75.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[2-[(5-methoxy-1H-indol-2-yl)methylamino]propyl]quinazolin-4-one
CID 56717154
3-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 67133301
6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
CID 39760818
3-(benzimidazol-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]propanamide
CID 91795395
3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-7-(trifluoromethyl)quinazolin-4-one
CID 39830460
2-(5-methoxy-1H-indol-2-yl)ethanamine
CID 11217728
3-(5-methoxy-1H-indol-2-yl)propanoic acid
CID 18987712
3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one
CID 39804596
6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one
CID 39826371
3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one
CID 39826453
(5-methoxy-1H-indol-2-yl)methyl acetate
CID 22766960
3-[2-[di(propan-2-yl)amino]ethyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one
CID 154563437

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one (CID 154819670) is 3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one is COc1ccc2[nH]c(Cn3cnc4cc[nH]c4c3=O)cc2c1.
What is the InChIKey of 3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is CZBLYCCIJWRVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-12-2-3-13-10(7-12)6-11(19-13)8-20-9-18-14-4-5-17-15(14)16(20)21/h2-7,9,17,19H,8H2,1H3.
What are the key properties of 3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one?
3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 294.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-1H-indol-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 154819670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).