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

C17H16N4O — CID 24931676

IUPAC2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1cncc(CN2CCc3cnc(-c4ccco4)nc3C2)c1
InChIInChI=1S/C17H16N4O/c1-3-13(9-18-6-1)11-21-7-5-14-10-19-17(20-15(14)12-21)16-4-2-8-22-16/h1-4,6,8-10H,5,7,11-12H2
InChIKeyXRLSFQXLQVUBMX-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.69
Rot. Bonds3

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

2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24931676) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24931676
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1cncc(CN2CCc3cnc(-c4ccco4)nc3C2)c1
InChIInChI=1S/C17H16N4O/c1-3-13(9-18-6-1)11-21-7-5-14-10-19-17(20-15(14)12-21)16-4-2-8-22-16/h1-4,6,8-10H,5,7,11-12H2
InChIKeyXRLSFQXLQVUBMX-UHFFFAOYSA-N
XLogP2.69
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyridin-4-yl-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931692
2-(furan-2-yl)-6-[(4-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917087
2-(furan-2-yl)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931403
7-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930307
7-[(4-methylphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930328
6-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912090
6-[(6-cyclopentyloxy-3-pyridinyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917570
5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-carboxylic acid
CID 24909111
5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole
CID 24916500
7-[(2-methylphenyl)methyl]-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930286
6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928683
5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 24913203

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24931676) is 2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is c1cncc(CN2CCc3cnc(-c4ccco4)nc3C2)c1.
What is the InChIKey of 2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is XRLSFQXLQVUBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-3-13(9-18-6-1)11-21-7-5-14-10-19-17(20-15(14)12-21)16-4-2-8-22-16/h1-4,6,8-10H,5,7,11-12H2.
What are the key properties of 2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 292.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24931676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).