5-benzyl-7-(morpholine-4-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one

C24H22N4O3 — CID 16809416

IUPAC5-benzyl-7-(morpholine-4-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one
SMILESO=C(c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCOCC1
InChIInChI=1S/C24H22N4O3/c29-23(27-11-13-31-14-12-27)20-16-26(15-18-7-3-1-4-8-18)17-21-22(20)25-28(24(21)30)19-9-5-2-6-10-19/h1-10,16-17H,11-15H2
InChIKeyJNBLISDDSRCZOS-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.66
Rot. Bonds4

About 5-benzyl-7-(morpholine-4-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one

5-benzyl-7-(morpholine-4-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one (PubChem CID 16809416) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-benzyl-7-(morpholine-4-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name5-benzyl-7-(morpholine-4-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one
PubChem CID16809416
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name5-benzyl-7-(morpholine-4-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one
SMILESO=C(c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCOCC1
InChIInChI=1S/C24H22N4O3/c29-23(27-11-13-31-14-12-27)20-16-26(15-18-7-3-1-4-8-18)17-21-22(20)25-28(24(21)30)19-9-5-2-6-10-19/h1-10,16-17H,11-15H2
InChIKeyJNBLISDDSRCZOS-UHFFFAOYSA-N
XLogP2.66
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-7-(morpholine-4-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 5-benzyl-7-(morpholine-4-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one (CID 16809416) is 5-benzyl-7-(morpholine-4-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 5-benzyl-7-(morpholine-4-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 5-benzyl-7-(morpholine-4-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one is O=C(c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2)N1CCOCC1.
What is the InChIKey of 5-benzyl-7-(morpholine-4-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one?
The InChIKey is JNBLISDDSRCZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c29-23(27-11-13-31-14-12-27)20-16-26(15-18-7-3-1-4-8-18)17-21-22(20)25-28(24(21)30)19-9-5-2-6-10-19/h1-10,16-17H,11-15H2.
What are the key properties of 5-benzyl-7-(morpholine-4-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one?
5-benzyl-7-(morpholine-4-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one has a molecular weight of 414.47 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-7-(morpholine-4-carbonyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 16809416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).