5-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-2-oxo-4H-pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile

C26H23N7O — CID 121306629

About 5-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-2-oxo-4H-pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile

5-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-2-oxo-4H-pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile (PubChem CID 121306629) has the molecular formula C26H23N7O and a molecular weight of 449.52 g/mol. Its IUPAC name is 5-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-2-oxo-4H-pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-2-oxo-4H-pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile
• PubChem CID: 121306629
• Molecular Formula: C26H23N7O
• Molecular Weight: 449.52 g/mol
• Exact Mass: 449.20
• IUPAC Name: 5-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-2-oxo-4H-pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile
• SMILES: CN1Cc2cnc3ccc(-c4ccc(C#N)nc4)nc3c2N(c2ccc(C(C)(C)N)cc2)C1=O
• InChI: InChI=1S/C26H23N7O/c1-26(2,28)18-5-8-20(9-6-18)33-24-17(15-32(3)25(33)34)14-30-22-11-10-21(31-23(22)24)16-4-7-19(12-27)29-13-16/h4-11,13-14H,15,28H2,1-3H3
• InChIKey: XXNSONOOSIUSPY-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 112.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.52
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-2-oxo-4H-pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile?

The IUPAC name of 5-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-2-oxo-4H-pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile (CID 121306629) is 5-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-2-oxo-4H-pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 5-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-2-oxo-4H-pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile?

The canonical SMILES for 5-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-2-oxo-4H-pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile is CN1Cc2cnc3ccc(-c4ccc(C#N)nc4)nc3c2N(c2ccc(C(C)(C)N)cc2)C1=O.

What is the InChIKey of 5-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-2-oxo-4H-pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile?

The InChIKey is XXNSONOOSIUSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O/c1-26(2,28)18-5-8-20(9-6-18)33-24-17(15-32(3)25(33)34)14-30-22-11-10-21(31-23(22)24)16-4-7-19(12-27)29-13-16/h4-11,13-14H,15,28H2,1-3H3.

What are the key properties of 5-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-2-oxo-4H-pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile?

5-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-2-oxo-4H-pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile has a molecular weight of 449.52 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[4-(2-aminopropan-2-yl)phenyl]-3-methyl-2-oxo-4H-pyrimido[5,4-h][1,5]naphthyridin-9-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 121306629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).