2-[4-(1-methylpyrazol-4-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile

C19H13N5O — CID 57398380

IUPAC2-[4-(1-methylpyrazol-4-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCn1cc(-c2ccc(-c3[nH]c4ccncc4c(=O)c3C#N)cc2)cn1
InChIInChI=1S/C19H13N5O/c1-24-11-14(9-22-24)12-2-4-13(5-3-12)18-15(8-20)19(25)16-10-21-7-6-17(16)23-18/h2-7,9-11H,1H3,(H,23,25)
InChIKeyWDAXLBAKDGINEB-UHFFFAOYSA-N
MW327.35 g/mol
LogP2.86
Rot. Bonds2

About 2-[4-(1-methylpyrazol-4-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile

2-[4-(1-methylpyrazol-4-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile (PubChem CID 57398380) has the molecular formula C19H13N5O and a molecular weight of 327.35 g/mol. Its IUPAC name is 2-[4-(1-methylpyrazol-4-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(1-methylpyrazol-4-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
PubChem CID57398380
Molecular FormulaC19H13N5O
Molecular Weight327.35 g/mol
Exact Mass327.11
IUPAC Name2-[4-(1-methylpyrazol-4-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile
SMILESCn1cc(-c2ccc(-c3[nH]c4ccncc4c(=O)c3C#N)cc2)cn1
InChIInChI=1S/C19H13N5O/c1-24-11-14(9-22-24)12-2-4-13(5-3-12)18-15(8-20)19(25)16-10-21-7-6-17(16)23-18/h2-7,9-11H,1H3,(H,23,25)
InChIKeyWDAXLBAKDGINEB-UHFFFAOYSA-N
XLogP2.86
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrazol-4-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 2-[4-(1-methylpyrazol-4-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile (CID 57398380) is 2-[4-(1-methylpyrazol-4-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(1-methylpyrazol-4-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(1-methylpyrazol-4-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile is Cn1cc(-c2ccc(-c3[nH]c4ccncc4c(=O)c3C#N)cc2)cn1.
What is the InChIKey of 2-[4-(1-methylpyrazol-4-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
The InChIKey is WDAXLBAKDGINEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O/c1-24-11-14(9-22-24)12-2-4-13(5-3-12)18-15(8-20)19(25)16-10-21-7-6-17(16)23-18/h2-7,9-11H,1H3,(H,23,25).
What are the key properties of 2-[4-(1-methylpyrazol-4-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile?
2-[4-(1-methylpyrazol-4-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile has a molecular weight of 327.35 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrazol-4-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 57398380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).