6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C25H21N5O3 — CID 135945746

IUPAC6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1ccc(-c3ccc4c(c3)OCO4)nc1)CC2
InChIInChI=1S/C25H21N5O3/c31-25-19-14-30(10-7-21(19)28-24(29-25)17-5-8-26-9-6-17)13-16-1-3-20(27-12-16)18-2-4-22-23(11-18)33-15-32-22/h1-6,8-9,11-12H,7,10,13-15H2,(H,28,29,31)
InChIKeyNSWWAIIIAIDRMX-UHFFFAOYSA-N
MW439.48 g/mol
LogP3.18
Rot. Bonds4

About 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135945746) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135945746
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1ccc(-c3ccc4c(c3)OCO4)nc1)CC2
InChIInChI=1S/C25H21N5O3/c31-25-19-14-30(10-7-21(19)28-24(29-25)17-5-8-26-9-6-17)13-16-1-3-20(27-12-16)18-2-4-22-23(11-18)33-15-32-22/h1-6,8-9,11-12H,7,10,13-15H2,(H,28,29,31)
InChIKeyNSWWAIIIAIDRMX-UHFFFAOYSA-N
XLogP3.18
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945754
6-[[6-(3,4-difluorophenyl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945906
2-pyridin-4-yl-6-[(6-thiophen-2-yl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945306
2-[4-(trifluoromethyl)phenyl]-6-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945434
2-(4-aminophenyl)-6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945893
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944886
3-[5-[(4-oxo-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile
CID 135945367
2-(4-aminophenyl)-6-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945433
6-[(6-phenyl-3-pyridinyl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944451
2-(4-aminophenyl)-6-[[6-(3,4-dimethoxyphenyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946013
3-[5-[[4-oxo-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzonitrile
CID 135945374
7-(1,3-benzodioxol-5-ylmethyl)-2-pyrimidin-5-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865956

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135945746) is 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccncc2)nc2c1CN(Cc1ccc(-c3ccc4c(c3)OCO4)nc1)CC2.
What is the InChIKey of 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is NSWWAIIIAIDRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c31-25-19-14-30(10-7-21(19)28-24(29-25)17-5-8-26-9-6-17)13-16-1-3-20(27-12-16)18-2-4-22-23(11-18)33-15-32-22/h1-6,8-9,11-12H,7,10,13-15H2,(H,28,29,31).
What are the key properties of 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 439.48 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135945746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).