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

C26H22N4O — CID 24910851

IUPAC2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1ccc(-c2[nH]c3ccccc3c2CN2CCc3nc(-c4ccco4)ncc3C2)cc1
InChIInChI=1S/C26H22N4O/c1-2-7-18(8-3-1)25-21(20-9-4-5-10-23(20)28-25)17-30-13-12-22-19(16-30)15-27-26(29-22)24-11-6-14-31-24/h1-11,14-15,28H,12-13,16-17H2
InChIKeyMZOPEOGHCWCGOL-UHFFFAOYSA-N
MW406.49 g/mol
LogP5.44
Rot. Bonds4

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

2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24910851) has the molecular formula C26H22N4O and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24910851
Molecular FormulaC26H22N4O
Molecular Weight406.49 g/mol
Exact Mass406.18
IUPAC Name2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESc1ccc(-c2[nH]c3ccccc3c2CN2CCc3nc(-c4ccco4)ncc3C2)cc1
InChIInChI=1S/C26H22N4O/c1-2-7-18(8-3-1)25-21(20-9-4-5-10-23(20)28-25)17-30-13-12-22-19(16-30)15-27-26(29-22)24-11-6-14-31-24/h1-11,14-15,28H,12-13,16-17H2
InChIKeyMZOPEOGHCWCGOL-UHFFFAOYSA-N
XLogP5.44
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2-phenyl-1H-indol-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910844
2-phenyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930765
2-methylsulfanyl-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910838
4-[6-[[2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24910833
2-amino-3-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]chromen-4-one
CID 24910410
6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909346
6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24909333
6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-(furan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861662
2-(furan-2-yl)-6-[(5-methyl-1H-imidazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910326
5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]furan-2-carboxylic acid
CID 24909111
6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909330
5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-4-methyl-1,3-thiazole
CID 24916500

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24910851) is 2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is c1ccc(-c2[nH]c3ccccc3c2CN2CCc3nc(-c4ccco4)ncc3C2)cc1.
What is the InChIKey of 2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is MZOPEOGHCWCGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O/c1-2-7-18(8-3-1)25-21(20-9-4-5-10-23(20)28-25)17-30-13-12-22-19(16-30)15-27-26(29-22)24-11-6-14-31-24/h1-11,14-15,28H,12-13,16-17H2.
What are the key properties of 2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 406.49 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24910851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).