2-methyl-2-[4-[2-(2-methylpyrimidin-5-yl)-9-oxopyrido[3,2-c][1,5]naphthyridin-10-yl]phenyl]propanenitrile

C26H20N6O — CID 135267467

IUPAC2-methyl-2-[4-[2-(2-methylpyrimidin-5-yl)-9-oxopyrido[3,2-c][1,5]naphthyridin-10-yl]phenyl]propanenitrile
SMILESCc1ncc(-c2ccc3ncc4ccc(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1
InChIInChI=1S/C26H20N6O/c1-16-28-13-18(14-29-16)21-9-10-22-24(31-21)25-17(12-30-22)4-11-23(33)32(25)20-7-5-19(6-8-20)26(2,3)15-27/h4-14H,1-3H3
InChIKeyFTOIOCPZTDZITE-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.50
Rot. Bonds3

About 2-methyl-2-[4-[2-(2-methylpyrimidin-5-yl)-9-oxopyrido[3,2-c][1,5]naphthyridin-10-yl]phenyl]propanenitrile

2-methyl-2-[4-[2-(2-methylpyrimidin-5-yl)-9-oxopyrido[3,2-c][1,5]naphthyridin-10-yl]phenyl]propanenitrile (PubChem CID 135267467) has the molecular formula C26H20N6O and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-methyl-2-[4-[2-(2-methylpyrimidin-5-yl)-9-oxopyrido[3,2-c][1,5]naphthyridin-10-yl]phenyl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[2-(2-methylpyrimidin-5-yl)-9-oxopyrido[3,2-c][1,5]naphthyridin-10-yl]phenyl]propanenitrile
PubChem CID135267467
Molecular FormulaC26H20N6O
Molecular Weight432.49 g/mol
Exact Mass432.17
IUPAC Name2-methyl-2-[4-[2-(2-methylpyrimidin-5-yl)-9-oxopyrido[3,2-c][1,5]naphthyridin-10-yl]phenyl]propanenitrile
SMILESCc1ncc(-c2ccc3ncc4ccc(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1
InChIInChI=1S/C26H20N6O/c1-16-28-13-18(14-29-16)21-9-10-22-24(31-21)25-17(12-30-22)4-11-23(33)32(25)20-7-5-19(6-8-20)26(2,3)15-27/h4-14H,1-3H3
InChIKeyFTOIOCPZTDZITE-UHFFFAOYSA-N
XLogP4.50
TPSA97.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-[10-[4-(2-cyanopropan-2-yl)phenyl]-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]pyridine-2-carbonitrile
CID 71112980
2-methyl-2-[4-[8-(6-methyl-3-pyridinyl)-2-oxo-3H-imidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
CID 45254777
2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)phenyl]propanenitrile
CID 45254588
2-[4-[2,4-dioxo-9-(2-piperazin-1-ylpyrimidin-5-yl)pyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]-2-methylpropanenitrile
CID 129089263
2-methyl-2-[4-[3-methyl-8-[6-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
CID 90182384
disodium;[1-[4-(2-cyanopropan-2-yl)phenyl]-9-(6-methylsulfanyl-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-3-yl]methyl phosphate
CID 86303432
[1-[4-(2-cyanopropan-2-yl)phenyl]-9-(6-cyano-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-3-yl]methyl dihydrogen phosphate
CID 86303429
2-methyl-2-[4-[9-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-1-yl]phenyl]propanenitrile
CID 90077575
5-[10-(3-aminophenyl)-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]-3-methylpyridine-2-carbonitrile
CID 135267115
2-(2-aminopyrimidin-5-yl)-10-[3-(trifluoromethyl)phenyl]pyrido[3,2-c][1,5]naphthyridin-9-one
CID 71112303
[1-[4-(2-cyanopropan-2-yl)phenyl]-9-(1-methylpyrazol-4-yl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-3-yl]methyl dihydrogen phosphate
CID 86304195
[1-[4-(2-cyanopropan-2-yl)phenyl]-9-(6-morpholin-4-yl-3-pyridinyl)-2,4-dioxopyrimido[5,4-c][1,5]naphthyridin-3-yl]methyl dihydrogen phosphate
CID 86303583

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[2-(2-methylpyrimidin-5-yl)-9-oxopyrido[3,2-c][1,5]naphthyridin-10-yl]phenyl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[2-(2-methylpyrimidin-5-yl)-9-oxopyrido[3,2-c][1,5]naphthyridin-10-yl]phenyl]propanenitrile (CID 135267467) is 2-methyl-2-[4-[2-(2-methylpyrimidin-5-yl)-9-oxopyrido[3,2-c][1,5]naphthyridin-10-yl]phenyl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[2-(2-methylpyrimidin-5-yl)-9-oxopyrido[3,2-c][1,5]naphthyridin-10-yl]phenyl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[2-(2-methylpyrimidin-5-yl)-9-oxopyrido[3,2-c][1,5]naphthyridin-10-yl]phenyl]propanenitrile is Cc1ncc(-c2ccc3ncc4ccc(=O)n(-c5ccc(C(C)(C)C#N)cc5)c4c3n2)cn1.
What is the InChIKey of 2-methyl-2-[4-[2-(2-methylpyrimidin-5-yl)-9-oxopyrido[3,2-c][1,5]naphthyridin-10-yl]phenyl]propanenitrile?
The InChIKey is FTOIOCPZTDZITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O/c1-16-28-13-18(14-29-16)21-9-10-22-24(31-21)25-17(12-30-22)4-11-23(33)32(25)20-7-5-19(6-8-20)26(2,3)15-27/h4-14H,1-3H3.
What are the key properties of 2-methyl-2-[4-[2-(2-methylpyrimidin-5-yl)-9-oxopyrido[3,2-c][1,5]naphthyridin-10-yl]phenyl]propanenitrile?
2-methyl-2-[4-[2-(2-methylpyrimidin-5-yl)-9-oxopyrido[3,2-c][1,5]naphthyridin-10-yl]phenyl]propanenitrile has a molecular weight of 432.49 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[2-(2-methylpyrimidin-5-yl)-9-oxopyrido[3,2-c][1,5]naphthyridin-10-yl]phenyl]propanenitrile is sourced from PubChem (CID 135267467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).