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

C28H24N4 — CID 24930765

IUPAC2-phenyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1ccc(-c2ncc3c(n2)CN(Cc2c(-c4ccccc4)[nH]c4ccccc24)CC3)cc1
InChIInChI=1S/C28H24N4/c1-3-9-20(10-4-1)27-24(23-13-7-8-14-25(23)30-27)18-32-16-15-22-17-29-28(31-26(22)19-32)21-11-5-2-6-12-21/h1-14,17,30H,15-16,18-19H2
InChIKeyQTPGBCQQLSQOIK-UHFFFAOYSA-N
MW416.53 g/mol
LogP5.85
Rot. Bonds4

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

2-phenyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 24930765) has the molecular formula C28H24N4 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-phenyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-phenyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID24930765
Molecular FormulaC28H24N4
Molecular Weight416.53 g/mol
Exact Mass416.20
IUPAC Name2-phenyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESc1ccc(-c2ncc3c(n2)CN(Cc2c(-c4ccccc4)[nH]c4ccccc24)CC3)cc1
InChIInChI=1S/C28H24N4/c1-3-9-20(10-4-1)27-24(23-13-7-8-14-25(23)30-27)18-32-16-15-22-17-29-28(31-26(22)19-32)21-11-5-2-6-12-21/h1-14,17,30H,15-16,18-19H2
InChIKeyQTPGBCQQLSQOIK-UHFFFAOYSA-N
XLogP5.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[6-[[2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24910833
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-(furan-2-yl)-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910851
2-methylsulfanyl-6-[(2-phenyl-1H-indol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910838
7-[(4,6-dichloropyrimidin-5-yl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930870
2-methyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866363
6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-thiophen-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909346
7-(1H-indol-3-ylmethyl)-2-pyridin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931398
6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24909333
7-[(4-methoxyphenyl)methyl]-2-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24930303
6-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909330
2-tert-butyl-6-[(2-phenyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942423

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-phenyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 24930765) is 2-phenyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-phenyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-phenyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is c1ccc(-c2ncc3c(n2)CN(Cc2c(-c4ccccc4)[nH]c4ccccc24)CC3)cc1.
What is the InChIKey of 2-phenyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is QTPGBCQQLSQOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4/c1-3-9-20(10-4-1)27-24(23-13-7-8-14-25(23)30-27)18-32-16-15-22-17-29-28(31-26(22)19-32)21-11-5-2-6-12-21/h1-14,17,30H,15-16,18-19H2.
What are the key properties of 2-phenyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-phenyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 416.53 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-[(2-phenyl-1H-indol-3-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 24930765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).