[4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-oxazol-5-yl]methanol

C19H17FN4O2 — CID 23381179

IUPAC[4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-oxazol-5-yl]methanol
SMILESCCc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)oc1CO
InChIInChI=1S/C19H17FN4O2/c1-2-15-16(11-25)26-19(22-15)17-13-7-5-9-21-18(13)24(23-17)10-12-6-3-4-8-14(12)20/h3-9,25H,2,10-11H2,1H3
InChIKeyNAAKGHJTFSBENC-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.33
Rot. Bonds5

About [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-oxazol-5-yl]methanol

[4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-oxazol-5-yl]methanol (PubChem CID 23381179) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-oxazol-5-yl]methanol
PubChem CID23381179
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name[4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-oxazol-5-yl]methanol
SMILESCCc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)oc1CO
InChIInChI=1S/C19H17FN4O2/c1-2-15-16(11-25)26-19(22-15)17-13-7-5-9-21-18(13)24(23-17)10-12-6-3-4-8-14(12)20/h3-9,25H,2,10-11H2,1H3
InChIKeyNAAKGHJTFSBENC-UHFFFAOYSA-N
XLogP3.33
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-oxazol-5-yl]methanol?
The IUPAC name of [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-oxazol-5-yl]methanol (CID 23381179) is [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-oxazol-5-yl]methanol.
What is the SMILES notation for [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-oxazol-5-yl]methanol?
The canonical SMILES for [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-oxazol-5-yl]methanol is CCc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)oc1CO.
What is the InChIKey of [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-oxazol-5-yl]methanol?
The InChIKey is NAAKGHJTFSBENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-2-15-16(11-25)26-19(22-15)17-13-7-5-9-21-18(13)24(23-17)10-12-6-3-4-8-14(12)20/h3-9,25H,2,10-11H2,1H3.
What are the key properties of [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-oxazol-5-yl]methanol?
[4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-oxazol-5-yl]methanol has a molecular weight of 352.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 23381179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).