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

C20H18N4O — CID 24931403

IUPAC2-(furan-2-yl)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1coc(-c2ncc3c(n2)CN(Cc2cccc4[nH]ccc24)CC3)c1
InChIInChI=1S/C20H18N4O/c1-3-15(16-6-8-21-17(16)4-1)12-24-9-7-14-11-22-20(23-18(14)13-24)19-5-2-10-25-19/h1-6,8,10-11,21H,7,9,12-13H2
InChIKeyIQKUNVOLHZDRLE-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.78
Rot. Bonds3

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

2-(furan-2-yl)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24931403) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(furan-2-yl)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(furan-2-yl)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24931403
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name2-(furan-2-yl)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1coc(-c2ncc3c(n2)CN(Cc2cccc4[nH]ccc24)CC3)c1
InChIInChI=1S/C20H18N4O/c1-3-15(16-6-8-21-17(16)4-1)12-24-9-7-14-11-22-20(23-18(14)13-24)19-5-2-10-25-19/h1-6,8,10-11,21H,7,9,12-13H2
InChIKeyIQKUNVOLHZDRLE-UHFFFAOYSA-N
XLogP3.78
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]aniline
CID 24931406
2-(furan-2-yl)-7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931676
7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931398
6-[(2,4-dimethoxy-3-methylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928620
2-(furan-2-yl)-6-[(5-methyl-1H-imidazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910326
2-(furan-2-yl)-6-[(2-nitrophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929859
2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910851
6-[(2,4-dimethylphenyl)methyl]-2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928683
2-(furan-2-yl)-6-[(4-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917087
7-[(5-methyl-1H-indol-3-yl)methyl]-2-(4-methylphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931103
1-[3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
CID 24909276
2-(4-chlorophenyl)-7-[(4-nitro-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930947

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(furan-2-yl)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24931403) is 2-(furan-2-yl)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(furan-2-yl)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(furan-2-yl)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is c1coc(-c2ncc3c(n2)CN(Cc2cccc4[nH]ccc24)CC3)c1.
What is the InChIKey of 2-(furan-2-yl)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is IQKUNVOLHZDRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-3-15(16-6-8-21-17(16)4-1)12-24-9-7-14-11-22-20(23-18(14)13-24)19-5-2-10-25-19/h1-6,8,10-11,21H,7,9,12-13H2.
What are the key properties of 2-(furan-2-yl)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-(furan-2-yl)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 330.39 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-7-(1H-indol-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24931403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).