6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C21H18N4O — CID 24909085

IUPAC6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1ccc2oc(CN3CCc4nc(-c5ccncc5)ncc4C3)cc2c1
InChIInChI=1S/C21H18N4O/c1-2-4-20-16(3-1)11-18(26-20)14-25-10-7-19-17(13-25)12-23-21(24-19)15-5-8-22-9-6-15/h1-6,8-9,11-12H,7,10,13-14H2
InChIKeyMIJLOXFLSWVKJQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.84
Rot. Bonds3

About 6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24909085) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is 6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24909085
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC Name6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1ccc2oc(CN3CCc4nc(-c5ccncc5)ncc4C3)cc2c1
InChIInChI=1S/C21H18N4O/c1-2-4-20-16(3-1)11-18(26-20)14-25-10-7-19-17(13-25)12-23-21(24-19)15-5-8-22-9-6-15/h1-6,8-9,11-12H,7,10,13-14H2
InChIKeyMIJLOXFLSWVKJQ-UHFFFAOYSA-N
XLogP3.84
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazole
CID 24912127
6-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910594
tri(propan-2-yl)-[5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-oxazol-2-yl]silane
CID 24915277
2-pyridin-4-yl-6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913429
6-[(6-bromo-2-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912694
2-pyridin-4-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910762
5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24912169
6-[(2-chloroquinolin-3-yl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909880
6-[(3,5-dichloro-4-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913681
5-[(2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyrimidin-2-amine
CID 24913513
6-[(5-bromofuran-2-yl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910108
6-[(5-chloro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917775

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24909085) is 6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1ccc2oc(CN3CCc4nc(-c5ccncc5)ncc4C3)cc2c1.
What is the InChIKey of 6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is MIJLOXFLSWVKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-2-4-20-16(3-1)11-18(26-20)14-25-10-7-19-17(13-25)12-23-21(24-19)15-5-8-22-9-6-15/h1-6,8-9,11-12H,7,10,13-14H2.
What are the key properties of 6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 342.40 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-ylmethyl)-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24909085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).