2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine

C19H22N4O — CID 53389805

IUPAC2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine
SMILESCc1ccc(-n2nc(N3CCOC(C)(C)C3)c3ccncc32)cc1
InChIInChI=1S/C19H22N4O/c1-14-4-6-15(7-5-14)23-17-12-20-9-8-16(17)18(21-23)22-10-11-24-19(2,3)13-22/h4-9,12H,10-11,13H2,1-3H3
InChIKeyAPJNJNAVYLXEIC-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.34
Rot. Bonds2

About 2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine

2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine (PubChem CID 53389805) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine
PubChem CID53389805
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine
SMILESCc1ccc(-n2nc(N3CCOC(C)(C)C3)c3ccncc32)cc1
InChIInChI=1S/C19H22N4O/c1-14-4-6-15(7-5-14)23-17-12-20-9-8-16(17)18(21-23)22-10-11-24-19(2,3)13-22/h4-9,12H,10-11,13H2,1-3H3
InChIKeyAPJNJNAVYLXEIC-UHFFFAOYSA-N
XLogP3.34
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?
The IUPAC name of 2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine (CID 53389805) is 2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine.
What is the SMILES notation for 2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?
The canonical SMILES for 2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine is Cc1ccc(-n2nc(N3CCOC(C)(C)C3)c3ccncc32)cc1.
What is the InChIKey of 2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?
The InChIKey is APJNJNAVYLXEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-14-4-6-15(7-5-14)23-17-12-20-9-8-16(17)18(21-23)22-10-11-24-19(2,3)13-22/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine?
2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine has a molecular weight of 322.41 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[1-(4-methylphenyl)pyrazolo[5,4-c]pyridin-3-yl]morpholine is sourced from PubChem (CID 53389805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).