4-[2-[2-(2,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]ethyl]morpholine

C20H24N4O2 — CID 169419591

IUPAC4-[2-[2-(2,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]ethyl]morpholine
SMILESCc1cc(-c2ccccc2OCCN2CCOCC2)nc2nn(C)cc12
InChIInChI=1S/C20H24N4O2/c1-15-13-18(21-20-17(15)14-23(2)22-20)16-5-3-4-6-19(16)26-12-9-24-7-10-25-11-8-24/h3-6,13-14H,7-12H2,1-2H3
InChIKeyOHFZJDDULQWYKX-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.65
Rot. Bonds5

About 4-[2-[2-(2,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]ethyl]morpholine

4-[2-[2-(2,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]ethyl]morpholine (PubChem CID 169419591) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[2-[2-(2,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(2,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]ethyl]morpholine
PubChem CID169419591
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-[2-[2-(2,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]ethyl]morpholine
SMILESCc1cc(-c2ccccc2OCCN2CCOCC2)nc2nn(C)cc12
InChIInChI=1S/C20H24N4O2/c1-15-13-18(21-20-17(15)14-23(2)22-20)16-5-3-4-6-19(16)26-12-9-24-7-10-25-11-8-24/h3-6,13-14H,7-12H2,1-2H3
InChIKeyOHFZJDDULQWYKX-UHFFFAOYSA-N
XLogP2.65
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
(1,3-dimethylpyrazol-4-yl)-[2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 171763291
4-[2-(4-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 143504994
2-[3-methyl-4-(2-morpholin-4-ylethoxy)phenyl]benzoic acid
CID 166265933
ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 143832588
N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
4-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]morpholine
CID 872206
4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine
CID 868362
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014
4-[2-[2-(chloromethyl)phenoxy]ethyl]morpholine
CID 18179953

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[2-(2,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]ethyl]morpholine (CID 169419591) is 4-[2-[2-(2,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[2-(2,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[2-(2,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]ethyl]morpholine is Cc1cc(-c2ccccc2OCCN2CCOCC2)nc2nn(C)cc12.
What is the InChIKey of 4-[2-[2-(2,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]ethyl]morpholine?
The InChIKey is OHFZJDDULQWYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-13-18(21-20-17(15)14-23(2)22-20)16-5-3-4-6-19(16)26-12-9-24-7-10-25-11-8-24/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 4-[2-[2-(2,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]ethyl]morpholine?
4-[2-[2-(2,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]ethyl]morpholine has a molecular weight of 352.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,4-dimethylpyrazolo[3,4-b]pyridin-6-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 169419591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).