4-[3-(1-ethyl-7-methylpyrazolo[4,5-b]pyridin-5-yl)quinolin-2-yl]morpholine

C22H23N5O — CID 169418815

IUPAC4-[3-(1-ethyl-7-methylpyrazolo[4,5-b]pyridin-5-yl)quinolin-2-yl]morpholine
SMILESCCn1ncc2nc(-c3cc4ccccc4nc3N3CCOCC3)cc(C)c21
InChIInChI=1S/C22H23N5O/c1-3-27-21-15(2)12-19(24-20(21)14-23-27)17-13-16-6-4-5-7-18(16)25-22(17)26-8-10-28-11-9-26/h4-7,12-14H,3,8-11H2,1-2H3
InChIKeyAQBKDWICVKLUJO-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.81
Rot. Bonds3

About 4-[3-(1-ethyl-7-methylpyrazolo[4,5-b]pyridin-5-yl)quinolin-2-yl]morpholine

4-[3-(1-ethyl-7-methylpyrazolo[4,5-b]pyridin-5-yl)quinolin-2-yl]morpholine (PubChem CID 169418815) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-[3-(1-ethyl-7-methylpyrazolo[4,5-b]pyridin-5-yl)quinolin-2-yl]morpholine.

Molecular Properties

Compound Name4-[3-(1-ethyl-7-methylpyrazolo[4,5-b]pyridin-5-yl)quinolin-2-yl]morpholine
PubChem CID169418815
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name4-[3-(1-ethyl-7-methylpyrazolo[4,5-b]pyridin-5-yl)quinolin-2-yl]morpholine
SMILESCCn1ncc2nc(-c3cc4ccccc4nc3N3CCOCC3)cc(C)c21
InChIInChI=1S/C22H23N5O/c1-3-27-21-15(2)12-19(24-20(21)14-23-27)17-13-16-6-4-5-7-18(16)25-22(17)26-8-10-28-11-9-26/h4-7,12-14H,3,8-11H2,1-2H3
InChIKeyAQBKDWICVKLUJO-UHFFFAOYSA-N
XLogP3.81
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-ethyl-7-methylpyrazolo[4,5-b]pyridin-5-yl)quinolin-2-yl]morpholine?
The IUPAC name of 4-[3-(1-ethyl-7-methylpyrazolo[4,5-b]pyridin-5-yl)quinolin-2-yl]morpholine (CID 169418815) is 4-[3-(1-ethyl-7-methylpyrazolo[4,5-b]pyridin-5-yl)quinolin-2-yl]morpholine.
What is the SMILES notation for 4-[3-(1-ethyl-7-methylpyrazolo[4,5-b]pyridin-5-yl)quinolin-2-yl]morpholine?
The canonical SMILES for 4-[3-(1-ethyl-7-methylpyrazolo[4,5-b]pyridin-5-yl)quinolin-2-yl]morpholine is CCn1ncc2nc(-c3cc4ccccc4nc3N3CCOCC3)cc(C)c21.
What is the InChIKey of 4-[3-(1-ethyl-7-methylpyrazolo[4,5-b]pyridin-5-yl)quinolin-2-yl]morpholine?
The InChIKey is AQBKDWICVKLUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-3-27-21-15(2)12-19(24-20(21)14-23-27)17-13-16-6-4-5-7-18(16)25-22(17)26-8-10-28-11-9-26/h4-7,12-14H,3,8-11H2,1-2H3.
What are the key properties of 4-[3-(1-ethyl-7-methylpyrazolo[4,5-b]pyridin-5-yl)quinolin-2-yl]morpholine?
4-[3-(1-ethyl-7-methylpyrazolo[4,5-b]pyridin-5-yl)quinolin-2-yl]morpholine has a molecular weight of 373.46 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-ethyl-7-methylpyrazolo[4,5-b]pyridin-5-yl)quinolin-2-yl]morpholine is sourced from PubChem (CID 169418815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).