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

C17H17N5O2 — CID 135990723

IUPAC7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C(=O)N1CCc2c(nc[nH]c2=O)C1)n1cnc2ccccc21
InChIInChI=1S/C17H17N5O2/c1-11(22-10-20-13-4-2-3-5-15(13)22)17(24)21-7-6-12-14(8-21)18-9-19-16(12)23/h2-5,9-11H,6-8H2,1H3,(H,18,19,23)
InChIKeyNLLZFXRUXDVADA-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.27
Rot. Bonds2

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

7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135990723) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135990723
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C(=O)N1CCc2c(nc[nH]c2=O)C1)n1cnc2ccccc21
InChIInChI=1S/C17H17N5O2/c1-11(22-10-20-13-4-2-3-5-15(13)22)17(24)21-7-6-12-14(8-21)18-9-19-16(12)23/h2-5,9-11H,6-8H2,1H3,(H,18,19,23)
InChIKeyNLLZFXRUXDVADA-UHFFFAOYSA-N
XLogP1.27
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(2R)-2-(3-acetylindol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136782764
7-[(2R)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136917872
1-[2-(benzimidazol-1-yl)propanoyl]-1,4-diazepan-5-one
CID 62046817
(2R)-2-(benzimidazol-1-yl)-1-[(3R)-3-methylpiperazin-1-yl]propan-1-one
CID 129399575
2-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918614
2-(benzimidazol-1-yl)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 46430300
tert-butyl 4-[2-(benzimidazol-1-yl)propanoyl]piperazine-1-carboxylate
CID 42959413
2-(benzimidazol-1-yl)-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43502685
(2R)-2-(benzimidazol-1-yl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-1-one
CID 95585308
(2R)-2-(benzimidazol-1-yl)-1-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propan-1-one
CID 95302823
(2S)-N-[(2-fluorophenyl)methyl]-2-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propanamide
CID 137122917
(2S)-2-(benzimidazol-1-yl)-1-(1-oxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 95707820

Frequently Asked Questions

What is the IUPAC name of 7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135990723) is 7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC(C(=O)N1CCc2c(nc[nH]c2=O)C1)n1cnc2ccccc21.
What is the InChIKey of 7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is NLLZFXRUXDVADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11(22-10-20-13-4-2-3-5-15(13)22)17(24)21-7-6-12-14(8-21)18-9-19-16(12)23/h2-5,9-11H,6-8H2,1H3,(H,18,19,23).
What are the key properties of 7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 323.36 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(benzimidazol-1-yl)propanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135990723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).