[2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate

C17H12N4O2S — CID 88910821

IUPAC[2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate
SMILESCc1cnc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1
InChIInChI=1S/C17H12N4O2S/c1-11-7-13-16(18-8-11)15(12-5-3-2-4-6-12)20-21(13)17-19-14(9-24-17)23-10-22/h2-10H,1H3
InChIKeyIETSSOFCYJCLBS-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.39
Rot. Bonds4

About [2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate

[2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate (PubChem CID 88910821) has the molecular formula C17H12N4O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is [2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate
PubChem CID88910821
Molecular FormulaC17H12N4O2S
Molecular Weight336.38 g/mol
Exact Mass336.07
IUPAC Name[2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate
SMILESCc1cnc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1
InChIInChI=1S/C17H12N4O2S/c1-11-7-13-16(18-8-11)15(12-5-3-2-4-6-12)20-21(13)17-19-14(9-24-17)23-10-22/h2-10H,1H3
InChIKeyIETSSOFCYJCLBS-UHFFFAOYSA-N
XLogP3.39
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.39
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-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate (CID 88910821) is [2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate is Cc1cnc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2c1.
What is the InChIKey of [2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate?
The InChIKey is IETSSOFCYJCLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2S/c1-11-7-13-16(18-8-11)15(12-5-3-2-4-6-12)20-21(13)17-19-14(9-24-17)23-10-22/h2-10H,1H3.
What are the key properties of [2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate?
[2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate has a molecular weight of 336.38 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methyl-3-phenylpyrazolo[4,3-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 88910821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).