5-[10-[4-(2-cyanopropan-2-yl)phenyl]-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]pyridine-2-carbonitrile

C27H18N6O — CID 71112980

IUPAC5-[10-[4-(2-cyanopropan-2-yl)phenyl]-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]pyridine-2-carbonitrile
SMILESCC(C)(C#N)c1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(C#N)nc5)nc4c32)cc1
InChIInChI=1S/C27H18N6O/c1-27(2,16-29)19-5-8-21(9-6-19)33-24(34)12-4-18-15-31-23-11-10-22(32-25(23)26(18)33)17-3-7-20(13-28)30-14-17/h3-12,14-15H,1-2H3
InChIKeyXIFNGEUUCNUXDJ-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.67
Rot. Bonds3

About 5-[10-[4-(2-cyanopropan-2-yl)phenyl]-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]pyridine-2-carbonitrile

5-[10-[4-(2-cyanopropan-2-yl)phenyl]-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]pyridine-2-carbonitrile (PubChem CID 71112980) has the molecular formula C27H18N6O and a molecular weight of 442.48 g/mol. Its IUPAC name is 5-[10-[4-(2-cyanopropan-2-yl)phenyl]-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[10-[4-(2-cyanopropan-2-yl)phenyl]-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]pyridine-2-carbonitrile
PubChem CID71112980
Molecular FormulaC27H18N6O
Molecular Weight442.48 g/mol
Exact Mass442.15
IUPAC Name5-[10-[4-(2-cyanopropan-2-yl)phenyl]-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]pyridine-2-carbonitrile
SMILESCC(C)(C#N)c1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(C#N)nc5)nc4c32)cc1
InChIInChI=1S/C27H18N6O/c1-27(2,16-29)19-5-8-21(9-6-19)33-24(34)12-4-18-15-31-23-11-10-22(32-25(23)26(18)33)17-3-7-20(13-28)30-14-17/h3-12,14-15H,1-2H3
InChIKeyXIFNGEUUCNUXDJ-UHFFFAOYSA-N
XLogP4.67
TPSA108.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.67
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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Frequently Asked Questions

What is the IUPAC name of 5-[10-[4-(2-cyanopropan-2-yl)phenyl]-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[10-[4-(2-cyanopropan-2-yl)phenyl]-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]pyridine-2-carbonitrile (CID 71112980) is 5-[10-[4-(2-cyanopropan-2-yl)phenyl]-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[10-[4-(2-cyanopropan-2-yl)phenyl]-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[10-[4-(2-cyanopropan-2-yl)phenyl]-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]pyridine-2-carbonitrile is CC(C)(C#N)c1ccc(-n2c(=O)ccc3cnc4ccc(-c5ccc(C#N)nc5)nc4c32)cc1.
What is the InChIKey of 5-[10-[4-(2-cyanopropan-2-yl)phenyl]-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]pyridine-2-carbonitrile?
The InChIKey is XIFNGEUUCNUXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N6O/c1-27(2,16-29)19-5-8-21(9-6-19)33-24(34)12-4-18-15-31-23-11-10-22(32-25(23)26(18)33)17-3-7-20(13-28)30-14-17/h3-12,14-15H,1-2H3.
What are the key properties of 5-[10-[4-(2-cyanopropan-2-yl)phenyl]-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]pyridine-2-carbonitrile?
5-[10-[4-(2-cyanopropan-2-yl)phenyl]-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]pyridine-2-carbonitrile has a molecular weight of 442.48 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-[4-(2-cyanopropan-2-yl)phenyl]-9-oxopyrido[3,2-h][1,5]naphthyridin-2-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 71112980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).