(3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone

C24H22N4O2 — CID 2339171

IUPAC(3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)N3CCOCC3)c12
InChIInChI=1S/C24H22N4O2/c1-17-22-20(24(29)27-12-14-30-15-13-27)16-21(18-8-4-2-5-9-18)25-23(22)28(26-17)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3
InChIKeyFXJSXXVLIKSSET-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.87
Rot. Bonds3

About (3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone

(3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone (PubChem CID 2339171) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is (3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone
PubChem CID2339171
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name(3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)N3CCOCC3)c12
InChIInChI=1S/C24H22N4O2/c1-17-22-20(24(29)27-12-14-30-15-13-27)16-21(18-8-4-2-5-9-18)25-23(22)28(26-17)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3
InChIKeyFXJSXXVLIKSSET-UHFFFAOYSA-N
XLogP3.87
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone (CID 2339171) is (3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone is Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)N3CCOCC3)c12.
What is the InChIKey of (3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone?
The InChIKey is FXJSXXVLIKSSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-17-22-20(24(29)27-12-14-30-15-13-27)16-21(18-8-4-2-5-9-18)25-23(22)28(26-17)19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3.
What are the key properties of (3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone?
(3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone has a molecular weight of 398.47 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,6-diphenylpyrazolo[5,4-b]pyridin-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 2339171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).