6-formyl-2-oxo-4-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-1,7-naphthyridine-3-carbonitrile

C17H14N6O2 — CID 175193221

IUPAC6-formyl-2-oxo-4-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC(n3cccn3)C2)c2cc(C=O)ncc2[nH]c1=O
InChIInChI=1S/C17H14N6O2/c18-7-14-16(22-5-2-12(9-22)23-4-1-3-20-23)13-6-11(10-24)19-8-15(13)21-17(14)25/h1,3-4,6,8,10,12H,2,5,9H2,(H,21,25)
InChIKeyKXZWNHTVYVTZBP-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.26
Rot. Bonds3

About 6-formyl-2-oxo-4-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-1,7-naphthyridine-3-carbonitrile

6-formyl-2-oxo-4-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 175193221) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 6-formyl-2-oxo-4-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-formyl-2-oxo-4-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID175193221
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name6-formyl-2-oxo-4-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC(n3cccn3)C2)c2cc(C=O)ncc2[nH]c1=O
InChIInChI=1S/C17H14N6O2/c18-7-14-16(22-5-2-12(9-22)23-4-1-3-20-23)13-6-11(10-24)19-8-15(13)21-17(14)25/h1,3-4,6,8,10,12H,2,5,9H2,(H,21,25)
InChIKeyKXZWNHTVYVTZBP-UHFFFAOYSA-N
XLogP1.26
TPSA107.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-formyl-2-oxo-4-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 6-formyl-2-oxo-4-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-1,7-naphthyridine-3-carbonitrile (CID 175193221) is 6-formyl-2-oxo-4-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-formyl-2-oxo-4-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-formyl-2-oxo-4-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-1,7-naphthyridine-3-carbonitrile is N#Cc1c(N2CCC(n3cccn3)C2)c2cc(C=O)ncc2[nH]c1=O.
What is the InChIKey of 6-formyl-2-oxo-4-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is KXZWNHTVYVTZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c18-7-14-16(22-5-2-12(9-22)23-4-1-3-20-23)13-6-11(10-24)19-8-15(13)21-17(14)25/h1,3-4,6,8,10,12H,2,5,9H2,(H,21,25).
What are the key properties of 6-formyl-2-oxo-4-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-1,7-naphthyridine-3-carbonitrile?
6-formyl-2-oxo-4-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 334.34 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-2-oxo-4-(3-pyrazol-1-ylpyrrolidin-1-yl)-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 175193221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).