3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one

C20H24N4O2 — CID 9147164

IUPAC3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)n(CCN2CCOCC2)c2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-15-14-18(25)23(9-8-22-10-12-26-13-11-22)20-19(15)16(2)21-24(20)17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3
InChIKeyZNUNRXVFBFLZQU-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.14
Rot. Bonds4

About 3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one

3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one (PubChem CID 9147164) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
PubChem CID9147164
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
SMILESCc1cc(=O)n(CCN2CCOCC2)c2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-15-14-18(25)23(9-8-22-10-12-26-13-11-22)20-19(15)16(2)21-24(20)17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3
InChIKeyZNUNRXVFBFLZQU-UHFFFAOYSA-N
XLogP2.14
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one (CID 9147164) is 3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one is Cc1cc(=O)n(CCN2CCOCC2)c2c1c(C)nn2-c1ccccc1.
What is the InChIKey of 3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ZNUNRXVFBFLZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-14-18(25)23(9-8-22-10-12-26-13-11-22)20-19(15)16(2)21-24(20)17-6-4-3-5-7-17/h3-7,14H,8-13H2,1-2H3.
What are the key properties of 3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one?
3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one has a molecular weight of 352.44 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-7-(2-morpholin-4-ylethyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 9147164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).