2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one

C12H7N5OS — CID 13377395

IUPAC2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
SMILESO=c1c2cnc3ccncc3c2[nH]n1-c1nccs1
InChIInChI=1S/C12H7N5OS/c18-11-8-6-15-9-1-2-13-5-7(9)10(8)16-17(11)12-14-3-4-19-12/h1-6,16H
InChIKeyBHLCBKYQSVPQFR-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.72
Rot. Bonds1

About 2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one

2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one (PubChem CID 13377395) has the molecular formula C12H7N5OS and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
PubChem CID13377395
Molecular FormulaC12H7N5OS
Molecular Weight269.29 g/mol
Exact Mass269.04
IUPAC Name2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
SMILESO=c1c2cnc3ccncc3c2[nH]n1-c1nccs1
InChIInChI=1S/C12H7N5OS/c18-11-8-6-15-9-1-2-13-5-7(9)10(8)16-17(11)12-14-3-4-19-12/h1-6,16H
InChIKeyBHLCBKYQSVPQFR-UHFFFAOYSA-N
XLogP1.72
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one?
The IUPAC name of 2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one (CID 13377395) is 2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one?
The canonical SMILES for 2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one is O=c1c2cnc3ccncc3c2[nH]n1-c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one?
The InChIKey is BHLCBKYQSVPQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N5OS/c18-11-8-6-15-9-1-2-13-5-7(9)10(8)16-17(11)12-14-3-4-19-12/h1-6,16H.
What are the key properties of 2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one?
2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one has a molecular weight of 269.29 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one is sourced from PubChem (CID 13377395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).