4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1,3-thiazol-2-yl]morpholine

C20H18FN5O2S — CID 134327952

IUPAC4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1,3-thiazol-2-yl]morpholine
SMILESCOc1cccc(F)c1-c1cc2c(-c3cnc(N4CCOCC4)s3)n[nH]c2cn1
InChIInChI=1S/C20H18FN5O2S/c1-27-16-4-2-3-13(21)18(16)14-9-12-15(10-22-14)24-25-19(12)17-11-23-20(29-17)26-5-7-28-8-6-26/h2-4,9-11H,5-8H2,1H3,(H,24,25)
InChIKeyGPODWMDAIZXCHP-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.73
Rot. Bonds4

About 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1,3-thiazol-2-yl]morpholine

4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1,3-thiazol-2-yl]morpholine (PubChem CID 134327952) has the molecular formula C20H18FN5O2S and a molecular weight of 411.46 g/mol. Its IUPAC name is 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1,3-thiazol-2-yl]morpholine
PubChem CID134327952
Molecular FormulaC20H18FN5O2S
Molecular Weight411.46 g/mol
Exact Mass411.12
IUPAC Name4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1,3-thiazol-2-yl]morpholine
SMILESCOc1cccc(F)c1-c1cc2c(-c3cnc(N4CCOCC4)s3)n[nH]c2cn1
InChIInChI=1S/C20H18FN5O2S/c1-27-16-4-2-3-13(21)18(16)14-9-12-15(10-22-14)24-25-19(12)17-11-23-20(29-17)26-5-7-28-8-6-26/h2-4,9-11H,5-8H2,1H3,(H,24,25)
InChIKeyGPODWMDAIZXCHP-UHFFFAOYSA-N
XLogP3.73
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1,3-thiazol-2-yl]morpholine (CID 134327952) is 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1,3-thiazol-2-yl]morpholine is COc1cccc(F)c1-c1cc2c(-c3cnc(N4CCOCC4)s3)n[nH]c2cn1.
What is the InChIKey of 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is GPODWMDAIZXCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S/c1-27-16-4-2-3-13(21)18(16)14-9-12-15(10-22-14)24-25-19(12)17-11-23-20(29-17)26-5-7-28-8-6-26/h2-4,9-11H,5-8H2,1H3,(H,24,25).
What are the key properties of 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1,3-thiazol-2-yl]morpholine?
4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 411.46 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 134327952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).