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

C20H17N5O3S — CID 59179896

IUPAC[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccccc3)c3ccc(N4CCOCC4)nc32)n1
InChIInChI=1S/C20H17N5O3S/c26-13-28-17-12-29-20(22-17)25-19-15(18(23-25)14-4-2-1-3-5-14)6-7-16(21-19)24-8-10-27-11-9-24/h1-7,12-13H,8-11H2
InChIKeyZKYGUCNAKYSGNO-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.92
Rot. Bonds5

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

[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate (PubChem CID 59179896) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is [2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate.

Molecular Properties

Compound Name[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate
PubChem CID59179896
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC Name[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate
SMILESO=COc1csc(-n2nc(-c3ccccc3)c3ccc(N4CCOCC4)nc32)n1
InChIInChI=1S/C20H17N5O3S/c26-13-28-17-12-29-20(22-17)25-19-15(18(23-25)14-4-2-1-3-5-14)6-7-16(21-19)24-8-10-27-11-9-24/h1-7,12-13H,8-11H2
InChIKeyZKYGUCNAKYSGNO-UHFFFAOYSA-N
XLogP2.92
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-6-(4-(2-methoxyethyl) piperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 117763356
N-(2-ethyl-6-morpholinoimidazo [1,2-b]pyridazin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 117794939
[2-[3-Phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
CID 59179926
[2-[6-(2-Fluorophenyl)sulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
CID 59179965
[2-[3-Phenyl-6-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
CID 88910816
Methane;[2-[3-phenyl-6-[3-(trifluoromethyl)phenyl]sulfanylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
CID 158900089
4-[5-(3-Phenylpyrazol-1-yl)-2-thiazol-2-yl-pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 166064357
N-{5-[8-(1-ethyl-propyl)-2,6-dimethyl-imidazo[1,2-b]pyridazin-3-yl]-4-phenyl-thiazol-2-yl}-morpholine
CID 57932955
[2-[6-(3-Methylbutan-2-ylsulfanyl)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
CID 59179866
[2-(6-Ethylsulfanyl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate
CID 59179916
[2-[6-(Diethylamino)-3-phenylpyrazolo[5,4-b]pyridin-1-yl]-1,3-thiazol-4-yl] formate
CID 59179941
[2-(3-Phenylpyrazolo[4,3-c]pyridin-1-yl)-1,3-thiazol-4-yl] formate
CID 59179962

Frequently Asked Questions

What is the IUPAC name of [2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate?
The IUPAC name of [2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate (CID 59179896) is [2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate.
What is the SMILES notation for [2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate?
The canonical SMILES for [2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate is O=COc1csc(-n2nc(-c3ccccc3)c3ccc(N4CCOCC4)nc32)n1.
What is the InChIKey of [2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate?
The InChIKey is ZKYGUCNAKYSGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c26-13-28-17-12-29-20(22-17)25-19-15(18(23-25)14-4-2-1-3-5-14)6-7-16(21-19)24-8-10-27-11-9-24/h1-7,12-13H,8-11H2.
What are the key properties of [2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate?
[2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate has a molecular weight of 407.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-morpholin-4-yl-3-phenylpyrazolo[5,4-b]pyridin-1-yl)-1,3-thiazol-4-yl] formate is sourced from PubChem (CID 59179896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).