[2-(3-phenylpyrazolo[4,3-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate

C16H10N4O2S — CID 59179962

IUPAC[2-(3-phenylpyrazolo[4,3-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccccc3)c3cnccc32)n1
InChIInChI=1S/C16H10N4O2S/c21-10-22-14-9-23-16(18-14)20-13-6-7-17-8-12(13)15(19-20)11-4-2-1-3-5-11/h1-10H
InChIKeyZCWKCZFLERFFAN-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.08
Rot. Bonds4

About [2-(3-phenylpyrazolo[4,3-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate

[2-(3-phenylpyrazolo[4,3-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate (PubChem CID 59179962) has the molecular formula C16H10N4O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is [2-(3-phenylpyrazolo[4,3-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-(3-phenylpyrazolo[4,3-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate
PubChem CID59179962
Molecular FormulaC16H10N4O2S
Molecular Weight322.35 g/mol
Exact Mass322.05
IUPAC Name[2-(3-phenylpyrazolo[4,3-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccccc3)c3cnccc32)n1
InChIInChI=1S/C16H10N4O2S/c21-10-22-14-9-23-16(18-14)20-13-6-7-17-8-12(13)15(19-20)11-4-2-1-3-5-11/h1-10H
InChIKeyZCWKCZFLERFFAN-UHFFFAOYSA-N
XLogP3.08
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
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 [2-(3-phenylpyrazolo[4,3-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-(3-phenylpyrazolo[4,3-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate (CID 59179962) is [2-(3-phenylpyrazolo[4,3-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-(3-phenylpyrazolo[4,3-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-(3-phenylpyrazolo[4,3-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate is O=COc1csc(-n2nc(-c3ccccc3)c3cnccc32)n1.
What is the InChIKey of [2-(3-phenylpyrazolo[4,3-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate?
The InChIKey is ZCWKCZFLERFFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2S/c21-10-22-14-9-23-16(18-14)20-13-6-7-17-8-12(13)15(19-20)11-4-2-1-3-5-11/h1-10H.
What are the key properties of [2-(3-phenylpyrazolo[4,3-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate?
[2-(3-phenylpyrazolo[4,3-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate has a molecular weight of 322.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-phenylpyrazolo[4,3-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 59179962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).