2,5-dioxo-6-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-1,6-naphthyridine-3-carbonitrile

C16H15N5O2 — CID 56723625

IUPAC2,5-dioxo-6-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-1,6-naphthyridine-3-carbonitrile
SMILESCC(C)n1cc(Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)cn1
InChIInChI=1S/C16H15N5O2/c1-10(2)21-9-11(7-18-21)8-20-4-3-14-13(16(20)23)5-12(6-17)15(22)19-14/h3-5,7,9-10H,8H2,1-2H3,(H,19,22)
InChIKeyPGPJOOHKXYTMDE-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.39
Rot. Bonds3

About 2,5-dioxo-6-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-1,6-naphthyridine-3-carbonitrile

2,5-dioxo-6-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 56723625) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2,5-dioxo-6-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2,5-dioxo-6-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID56723625
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2,5-dioxo-6-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-1,6-naphthyridine-3-carbonitrile
SMILESCC(C)n1cc(Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)cn1
InChIInChI=1S/C16H15N5O2/c1-10(2)21-9-11(7-18-21)8-20-4-3-14-13(16(20)23)5-12(6-17)15(22)19-14/h3-5,7,9-10H,8H2,1-2H3,(H,19,22)
InChIKeyPGPJOOHKXYTMDE-UHFFFAOYSA-N
XLogP1.39
TPSA96.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-dioxo-6-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2,5-dioxo-6-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-1,6-naphthyridine-3-carbonitrile (CID 56723625) is 2,5-dioxo-6-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2,5-dioxo-6-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2,5-dioxo-6-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-1,6-naphthyridine-3-carbonitrile is CC(C)n1cc(Cn2ccc3[nH]c(=O)c(C#N)cc3c2=O)cn1.
What is the InChIKey of 2,5-dioxo-6-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is PGPJOOHKXYTMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10(2)21-9-11(7-18-21)8-20-4-3-14-13(16(20)23)5-12(6-17)15(22)19-14/h3-5,7,9-10H,8H2,1-2H3,(H,19,22).
What are the key properties of 2,5-dioxo-6-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-1,6-naphthyridine-3-carbonitrile?
2,5-dioxo-6-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 309.33 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dioxo-6-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 56723625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).