[2-[6-(diethylamino)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate

C20H19N5O2S — CID 59179941

IUPAC[2-[6-(diethylamino)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
SMILESCCN(CC)c1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2n1
InChIInChI=1S/C20H19N5O2S/c1-3-24(4-2)16-11-10-15-18(14-8-6-5-7-9-14)23-25(19(15)21-16)20-22-17(12-28-20)27-13-26/h5-13H,3-4H2,1-2H3
InChIKeyJNOXYNMJRXNKFE-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.93
Rot. Bonds7

About [2-[6-(diethylamino)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate

[2-[6-(diethylamino)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate (PubChem CID 59179941) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is [2-[6-(diethylamino)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-[6-(diethylamino)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
PubChem CID59179941
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name[2-[6-(diethylamino)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
SMILESCCN(CC)c1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2n1
InChIInChI=1S/C20H19N5O2S/c1-3-24(4-2)16-11-10-15-18(14-8-6-5-7-9-14)23-25(19(15)21-16)20-22-17(12-28-20)27-13-26/h5-13H,3-4H2,1-2H3
InChIKeyJNOXYNMJRXNKFE-UHFFFAOYSA-N
XLogP3.93
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-(diethylamino)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-[6-(diethylamino)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate (CID 59179941) is [2-[6-(diethylamino)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-[6-(diethylamino)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-[6-(diethylamino)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate is CCN(CC)c1ccc2c(-c3ccccc3)nn(-c3nc(OC=O)cs3)c2n1.
What is the InChIKey of [2-[6-(diethylamino)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate?
The InChIKey is JNOXYNMJRXNKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-3-24(4-2)16-11-10-15-18(14-8-6-5-7-9-14)23-25(19(15)21-16)20-22-17(12-28-20)27-13-26/h5-13H,3-4H2,1-2H3.
What are the key properties of [2-[6-(diethylamino)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate?
[2-[6-(diethylamino)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate has a molecular weight of 393.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(diethylamino)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 59179941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).