4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine

C21H21N5O — CID 170502682

IUPAC4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine
SMILESCc1cc(-c2[nH]nc3ncccc23)nc2ccc(CN3CCOCC3)cc12
InChIInChI=1S/C21H21N5O/c1-14-11-19(20-16-3-2-6-22-21(16)25-24-20)23-18-5-4-15(12-17(14)18)13-26-7-9-27-10-8-26/h2-6,11-12H,7-10,13H2,1H3,(H,22,24,25)
InChIKeyHPWFPYLUQOPEJK-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.31
Rot. Bonds3

About 4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine

4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine (PubChem CID 170502682) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine
PubChem CID170502682
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine
SMILESCc1cc(-c2[nH]nc3ncccc23)nc2ccc(CN3CCOCC3)cc12
InChIInChI=1S/C21H21N5O/c1-14-11-19(20-16-3-2-6-22-21(16)25-24-20)23-18-5-4-15(12-17(14)18)13-26-7-9-27-10-8-26/h2-6,11-12H,7-10,13H2,1H3,(H,22,24,25)
InChIKeyHPWFPYLUQOPEJK-UHFFFAOYSA-N
XLogP3.31
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine?
The IUPAC name of 4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine (CID 170502682) is 4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine is Cc1cc(-c2[nH]nc3ncccc23)nc2ccc(CN3CCOCC3)cc12.
What is the InChIKey of 4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine?
The InChIKey is HPWFPYLUQOPEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-11-19(20-16-3-2-6-22-21(16)25-24-20)23-18-5-4-15(12-17(14)18)13-26-7-9-27-10-8-26/h2-6,11-12H,7-10,13H2,1H3,(H,22,24,25).
What are the key properties of 4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine?
4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine has a molecular weight of 359.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-2-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-6-yl]methyl]morpholine is sourced from PubChem (CID 170502682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).