7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C20H24N4O4 — CID 136696042

IUPAC7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(COC[C@@H]1CCCCO1)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1
InChIInChI=1S/C20H24N4O4/c25-18(13-27-12-15-3-1-2-10-28-15)24-9-6-16-17(11-24)22-19(23-20(16)26)14-4-7-21-8-5-14/h4-5,7-8,15H,1-3,6,9-13H2,(H,22,23,26)/t15-/m0/s1
InChIKeyRSBVQBAVKCAEKL-HNNXBMFYSA-N
MW384.44 g/mol
LogP1.30
Rot. Bonds5

About 7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136696042) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136696042
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(COC[C@@H]1CCCCO1)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1
InChIInChI=1S/C20H24N4O4/c25-18(13-27-12-15-3-1-2-10-28-15)24-9-6-16-17(11-24)22-19(23-20(16)26)14-4-7-21-8-5-14/h4-5,7-8,15H,1-3,6,9-13H2,(H,22,23,26)/t15-/m0/s1
InChIKeyRSBVQBAVKCAEKL-HNNXBMFYSA-N
XLogP1.30
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(oxan-2-ylmethoxy)-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 72888083
7-(cyclopentylmethyl)-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866088
1-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[[(2S)-oxolan-2-yl]methoxy]ethanone
CID 125154757
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 99971048
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 96573319
2-pyridin-4-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975277
4-(4-fluorophenyl)-2-[1-[2-(oxan-2-ylmethoxy)acetyl]piperidin-4-yl]-1H-imidazole-5-carboxamide
CID 155983104
7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 95220003
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]ethanone
CID 124754048
1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 97147496
7-(2-cyclopentylacetyl)-2-(5-methylpyrazin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136874996
1-[4-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 110263923

Frequently Asked Questions

What is the IUPAC name of 7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136696042) is 7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(COC[C@@H]1CCCCO1)N1CCc2c(nc(-c3ccncc3)[nH]c2=O)C1.
What is the InChIKey of 7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is RSBVQBAVKCAEKL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N4O4/c25-18(13-27-12-15-3-1-2-10-28-15)24-9-6-16-17(11-24)22-19(23-20(16)26)14-4-7-21-8-5-14/h4-5,7-8,15H,1-3,6,9-13H2,(H,22,23,26)/t15-/m0/s1.
What are the key properties of 7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 384.44 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136696042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).