5-[5-(3,3-dimethylmorpholin-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol

C19H18F4N4O2 — CID 163233876

IUPAC5-[5-(3,3-dimethylmorpholin-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol
SMILESCC1(C)COCCN1c1cc2cnn(-c3cc(O)c(F)c(C(F)(F)F)c3)c2cn1
InChIInChI=1S/C19H18F4N4O2/c1-18(2)10-29-4-3-26(18)16-5-11-8-25-27(14(11)9-24-16)12-6-13(19(21,22)23)17(20)15(28)7-12/h5-9,28H,3-4,10H2,1-2H3
InChIKeyAPCTXROSNDNBAT-UHFFFAOYSA-N
MW410.37 g/mol
LogP3.90
Rot. Bonds2

About 5-[5-(3,3-dimethylmorpholin-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol

5-[5-(3,3-dimethylmorpholin-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol (PubChem CID 163233876) has the molecular formula C19H18F4N4O2 and a molecular weight of 410.37 g/mol. Its IUPAC name is 5-[5-(3,3-dimethylmorpholin-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name5-[5-(3,3-dimethylmorpholin-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol
PubChem CID163233876
Molecular FormulaC19H18F4N4O2
Molecular Weight410.37 g/mol
Exact Mass410.14
IUPAC Name5-[5-(3,3-dimethylmorpholin-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol
SMILESCC1(C)COCCN1c1cc2cnn(-c3cc(O)c(F)c(C(F)(F)F)c3)c2cn1
InChIInChI=1S/C19H18F4N4O2/c1-18(2)10-29-4-3-26(18)16-5-11-8-25-27(14(11)9-24-16)12-6-13(19(21,22)23)17(20)15(28)7-12/h5-9,28H,3-4,10H2,1-2H3
InChIKeyAPCTXROSNDNBAT-UHFFFAOYSA-N
XLogP3.90
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,3-dimethylmorpholin-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol?
The IUPAC name of 5-[5-(3,3-dimethylmorpholin-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol (CID 163233876) is 5-[5-(3,3-dimethylmorpholin-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol.
What is the SMILES notation for 5-[5-(3,3-dimethylmorpholin-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol?
The canonical SMILES for 5-[5-(3,3-dimethylmorpholin-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol is CC1(C)COCCN1c1cc2cnn(-c3cc(O)c(F)c(C(F)(F)F)c3)c2cn1.
What is the InChIKey of 5-[5-(3,3-dimethylmorpholin-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol?
The InChIKey is APCTXROSNDNBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N4O2/c1-18(2)10-29-4-3-26(18)16-5-11-8-25-27(14(11)9-24-16)12-6-13(19(21,22)23)17(20)15(28)7-12/h5-9,28H,3-4,10H2,1-2H3.
What are the key properties of 5-[5-(3,3-dimethylmorpholin-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol?
5-[5-(3,3-dimethylmorpholin-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol has a molecular weight of 410.37 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,3-dimethylmorpholin-4-yl)pyrazolo[3,4-c]pyridin-1-yl]-2-fluoro-3-(trifluoromethyl)phenol is sourced from PubChem (CID 163233876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).