7-(1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

C24H19N5O2 — CID 102451696

IUPAC7-(1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1ccccc1)C(C#N)=C(c1c[nH]c3ccccc13)N2
InChIInChI=1S/C24H19N5O2/c1-28-22-20(23(30)29(2)24(28)31)19(14-8-4-3-5-9-14)16(12-25)21(27-22)17-13-26-18-11-7-6-10-15(17)18/h3-11,13,19,26-27H,1-2H3
InChIKeyAYBSVGXNNJJTRD-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.06
Rot. Bonds2

About 7-(1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile

7-(1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (PubChem CID 102451696) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 7-(1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-(1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
PubChem CID102451696
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name7-(1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
SMILESCn1c2c(c(=O)n(C)c1=O)C(c1ccccc1)C(C#N)=C(c1c[nH]c3ccccc13)N2
InChIInChI=1S/C24H19N5O2/c1-28-22-20(23(30)29(2)24(28)31)19(14-8-4-3-5-9-14)16(12-25)21(27-22)17-13-26-18-11-7-6-10-15(17)18/h3-11,13,19,26-27H,1-2H3
InChIKeyAYBSVGXNNJJTRD-UHFFFAOYSA-N
XLogP3.06
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(1H-indol-3-yl)-1,3-dimethyl-5-(4-nitrophenyl)-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 102451698
7-amino-5-(3-bromophenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 154702027
7-amino-1,3-dimethyl-2,4-dioxo-5-phenyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 2815157
(5R)-7-amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 126085811
(2R)-2-(4-tert-butylphenyl)-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
CID 1153042
methyl (5S)-1,3,7-trimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 7160979
ethyl 1,3-dimethyl-5-(4-methylphenyl)-2,4-dioxo-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
CID 23941344
(5S)-7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 684501
7-amino-5-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxo-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 616306
(2R)-5,7-dimethyl-2-(4-phenylmethoxyphenyl)-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
CID 1286461
2-(4-ethoxyphenyl)-5,7-dimethyl-5,7,9-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),3(8),11,13,15-pentaene-4,6,17-trione
CID 3786112
4-[(5R)-1,3-dimethyl-2,4,6-trioxo-7,8,9,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-5-yl]benzonitrile
CID 7165569

Frequently Asked Questions

What is the IUPAC name of 7-(1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The IUPAC name of 7-(1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile (CID 102451696) is 7-(1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-(1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-(1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is Cn1c2c(c(=O)n(C)c1=O)C(c1ccccc1)C(C#N)=C(c1c[nH]c3ccccc13)N2.
What is the InChIKey of 7-(1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
The InChIKey is AYBSVGXNNJJTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-28-22-20(23(30)29(2)24(28)31)19(14-8-4-3-5-9-14)16(12-25)21(27-22)17-13-26-18-11-7-6-10-15(17)18/h3-11,13,19,26-27H,1-2H3.
What are the key properties of 7-(1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile?
7-(1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile has a molecular weight of 409.45 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indol-3-yl)-1,3-dimethyl-2,4-dioxo-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile is sourced from PubChem (CID 102451696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).