6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C26H22N4O2 — CID 24915526

IUPAC6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1ccc(-c2ncc3c(n2)CCN(Cc2cccc(-c4ccc5c(c4)OCO5)n2)C3)cc1
InChIInChI=1S/C26H22N4O2/c1-2-5-18(6-3-1)26-27-14-20-15-30(12-11-23(20)29-26)16-21-7-4-8-22(28-21)19-9-10-24-25(13-19)32-17-31-24/h1-10,13-14H,11-12,15-17H2
InChIKeyDOCCNEJBIKQAPR-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.49
Rot. Bonds4

About 6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24915526) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is 6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24915526
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC Name6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1ccc(-c2ncc3c(n2)CCN(Cc2cccc(-c4ccc5c(c4)OCO5)n2)C3)cc1
InChIInChI=1S/C26H22N4O2/c1-2-5-18(6-3-1)26-27-14-20-15-30(12-11-23(20)29-26)16-21-7-4-8-22(28-21)19-9-10-24-25(13-19)32-17-31-24/h1-10,13-14H,11-12,15-17H2
InChIKeyDOCCNEJBIKQAPR-UHFFFAOYSA-N
XLogP4.49
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

2-(4-chlorophenyl)-6-[[6-(3-nitrophenyl)-2-pyridinyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915498
methyl 3-[6-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzoate
CID 24916653
6-[[6-(4-chlorophenyl)-2-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915443
2-(4-chlorophenyl)-6-[(6-thiophen-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915414
6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914325
2-phenyl-6-[(2-phenylpyrimidin-5-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912922
6-(1,3-benzodioxol-4-ylmethyl)-2-pyrimidin-5-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928390
3-[[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-5-phenyl-1,2-oxazole
CID 24916149
methyl 3-[6-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzoate
CID 24916647
6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912694
3-[6-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-pyridinyl]benzonitrile
CID 24915507
3-[(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine
CID 24911662

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24915526) is 6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1ccc(-c2ncc3c(n2)CCN(Cc2cccc(-c4ccc5c(c4)OCO5)n2)C3)cc1.
What is the InChIKey of 6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is DOCCNEJBIKQAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-2-5-18(6-3-1)26-27-14-20-15-30(12-11-23(20)29-26)16-21-7-4-8-22(28-21)19-9-10-24-25(13-19)32-17-31-24/h1-10,13-14H,11-12,15-17H2.
What are the key properties of 6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 422.49 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(1,3-benzodioxol-5-yl)-2-pyridinyl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24915526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).