3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione

C21H18N4O5 — CID 67284480

IUPAC3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione
SMILESO=C1c2cccc(-n3c(=O)[nH]c4cnccc4c3=O)c2C2CC3(CCN12)OCCO3
InChIInChI=1S/C21H18N4O5/c26-18-13-2-1-3-15(25-19(27)12-4-6-22-11-14(12)23-20(25)28)17(13)16-10-21(5-7-24(16)18)29-8-9-30-21/h1-4,6,11,16H,5,7-10H2,(H,23,28)
InChIKeyFAVWOTYUGDRRLM-UHFFFAOYSA-N
MW406.40 g/mol
LogP1.11
Rot. Bonds1

About 3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione

3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione (PubChem CID 67284480) has the molecular formula C21H18N4O5 and a molecular weight of 406.40 g/mol. Its IUPAC name is 3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione
PubChem CID67284480
Molecular FormulaC21H18N4O5
Molecular Weight406.40 g/mol
Exact Mass406.13
IUPAC Name3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione
SMILESO=C1c2cccc(-n3c(=O)[nH]c4cnccc4c3=O)c2C2CC3(CCN12)OCCO3
InChIInChI=1S/C21H18N4O5/c26-18-13-2-1-3-15(25-19(27)12-4-6-22-11-14(12)23-20(25)28)17(13)16-10-21(5-7-24(16)18)29-8-9-30-21/h1-4,6,11,16H,5,7-10H2,(H,23,28)
InChIKeyFAVWOTYUGDRRLM-UHFFFAOYSA-N
XLogP1.11
TPSA106.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-(6-Oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyridin-2-ylurea
CID 67134733
1-(6-Oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-3-pyrazin-2-ylurea
CID 67134967
1-(6-Methyl-2-pyridinyl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea
CID 67471491
1-(3-Methyl-2-pyridinyl)-3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)urea
CID 67471493
3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione
CID 46909407
10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione
CID 67283841
3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione
CID 67284316
3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,2-d]pyrimidine-2,4-dione
CID 67471489
3-(2-methyl-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione
CID 70853831
10-[8-(2-methylpropyl)-2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl]-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione
CID 91279752
10-(2,4-dioxo-1H-pyrido[3,4-d]pyrimidin-3-yl)-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione;3-(2-hydroxy-6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione;3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione;3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione
CID 162258757

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione?
The IUPAC name of 3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione (CID 67284480) is 3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione is O=C1c2cccc(-n3c(=O)[nH]c4cnccc4c3=O)c2C2CC3(CCN12)OCCO3.
What is the InChIKey of 3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione?
The InChIKey is FAVWOTYUGDRRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5/c26-18-13-2-1-3-15(25-19(27)12-4-6-22-11-14(12)23-20(25)28)17(13)16-10-21(5-7-24(16)18)29-8-9-30-21/h1-4,6,11,16H,5,7-10H2,(H,23,28).
What are the key properties of 3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione?
3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione has a molecular weight of 406.40 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxospiro[1,3,4,10b-tetrahydropyrido[2,1-a]isoindole-2,2'-1,3-dioxolane]-10-yl)-1H-pyrido[3,4-d]pyrimidine-2,4-dione is sourced from PubChem (CID 67284480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).