4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one

C21H21N5O2 — CID 134809986

IUPAC4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCn1cc(-c2nc(N3CCOCC3)cc3c2CN(c2ccccc2)C3=O)cn1
InChIInChI=1S/C21H21N5O2/c1-24-13-15(12-22-24)20-18-14-26(16-5-3-2-4-6-16)21(27)17(18)11-19(23-20)25-7-9-28-10-8-25/h2-6,11-13H,7-10,14H2,1H3
InChIKeyJUCRWADFMCGWBO-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.48
Rot. Bonds3

About 4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one

4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 134809986) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID134809986
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCn1cc(-c2nc(N3CCOCC3)cc3c2CN(c2ccccc2)C3=O)cn1
InChIInChI=1S/C21H21N5O2/c1-24-13-15(12-22-24)20-18-14-26(16-5-3-2-4-6-16)21(27)17(18)11-19(23-20)25-7-9-28-10-8-25/h2-6,11-13H,7-10,14H2,1H3
InChIKeyJUCRWADFMCGWBO-UHFFFAOYSA-N
XLogP2.48
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 134809986) is 4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one is Cn1cc(-c2nc(N3CCOCC3)cc3c2CN(c2ccccc2)C3=O)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is JUCRWADFMCGWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-24-13-15(12-22-24)20-18-14-26(16-5-3-2-4-6-16)21(27)17(18)11-19(23-20)25-7-9-28-10-8-25/h2-6,11-13H,7-10,14H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one?
4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 375.43 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-2-phenyl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 134809986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).