6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one

C20H21F2N3O3 — CID 151512455

IUPAC6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCc1nn(CC2CCOCC2)c2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12
InChIInChI=1S/C20H21F2N3O3/c1-2-14-16-18(26)19(27)17(15-12(21)4-3-5-13(15)22)23-20(16)25(24-14)10-11-6-8-28-9-7-11/h3-5,11,27H,2,6-10H2,1H3,(H,23,26)
InChIKeyPSTKWEXRSGPWRN-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.36
Rot. Bonds4

About 6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one

6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 151512455) has the molecular formula C20H21F2N3O3 and a molecular weight of 389.40 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID151512455
Molecular FormulaC20H21F2N3O3
Molecular Weight389.40 g/mol
Exact Mass389.16
IUPAC Name6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCc1nn(CC2CCOCC2)c2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12
InChIInChI=1S/C20H21F2N3O3/c1-2-14-16-18(26)19(27)17(15-12(21)4-3-5-13(15)22)23-20(16)25(24-14)10-11-6-8-28-9-7-11/h3-5,11,27H,2,6-10H2,1H3,(H,23,26)
InChIKeyPSTKWEXRSGPWRN-UHFFFAOYSA-N
XLogP3.36
TPSA80.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one (CID 151512455) is 6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is CCc1nn(CC2CCOCC2)c2[nH]c(-c3c(F)cccc3F)c(O)c(=O)c12.
What is the InChIKey of 6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is PSTKWEXRSGPWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O3/c1-2-14-16-18(26)19(27)17(15-12(21)4-3-5-13(15)22)23-20(16)25(24-14)10-11-6-8-28-9-7-11/h3-5,11,27H,2,6-10H2,1H3,(H,23,26).
What are the key properties of 6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one?
6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 389.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-3-ethyl-5-hydroxy-1-(oxan-4-ylmethyl)-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 151512455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).