7-[(2R)-2-(3-acetylindol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C20H20N4O3 — CID 136782764

IUPAC7-[(2R)-2-(3-acetylindol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(=O)c1cn([C@H](C)C(=O)N2CCc3c(nc[nH]c3=O)C2)c2ccccc12
InChIInChI=1S/C20H20N4O3/c1-12(24-9-16(13(2)25)14-5-3-4-6-18(14)24)20(27)23-8-7-15-17(10-23)21-11-22-19(15)26/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,21,22,26)/t12-/m1/s1
InChIKeyRIYIMDVLUDSZGV-GFCCVEGCSA-N
MW364.41 g/mol
LogP2.07
Rot. Bonds3

About 7-[(2R)-2-(3-acetylindol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[(2R)-2-(3-acetylindol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136782764) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 7-[(2R)-2-(3-acetylindol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(2R)-2-(3-acetylindol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136782764
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name7-[(2R)-2-(3-acetylindol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(=O)c1cn([C@H](C)C(=O)N2CCc3c(nc[nH]c3=O)C2)c2ccccc12
InChIInChI=1S/C20H20N4O3/c1-12(24-9-16(13(2)25)14-5-3-4-6-18(14)24)20(27)23-8-7-15-17(10-23)21-11-22-19(15)26/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,21,22,26)/t12-/m1/s1
InChIKeyRIYIMDVLUDSZGV-GFCCVEGCSA-N
XLogP2.07
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-2-(3-acetylindol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[(2R)-2-(3-acetylindol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136782764) is 7-[(2R)-2-(3-acetylindol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[(2R)-2-(3-acetylindol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[(2R)-2-(3-acetylindol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC(=O)c1cn([C@H](C)C(=O)N2CCc3c(nc[nH]c3=O)C2)c2ccccc12.
What is the InChIKey of 7-[(2R)-2-(3-acetylindol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is RIYIMDVLUDSZGV-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12(24-9-16(13(2)25)14-5-3-4-6-18(14)24)20(27)23-8-7-15-17(10-23)21-11-22-19(15)26/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,21,22,26)/t12-/m1/s1.
What are the key properties of 7-[(2R)-2-(3-acetylindol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[(2R)-2-(3-acetylindol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 364.41 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-2-(3-acetylindol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136782764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).