2-benzyl-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one

C24H24N4O3 — CID 134806765

IUPAC2-benzyl-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(-c2nc(N3CCOCC3)cc3c2CN(Cc2ccccc2)C3=O)cn1
InChIInChI=1S/C24H24N4O3/c1-30-22-8-7-18(14-25-22)23-20-16-28(15-17-5-3-2-4-6-17)24(29)19(20)13-21(26-23)27-9-11-31-12-10-27/h2-8,13-14H,9-12,15-16H2,1H3
InChIKeyZGPNINZWYGFAHZ-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.14
Rot. Bonds5

About 2-benzyl-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one

2-benzyl-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 134806765) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-benzyl-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2-benzyl-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID134806765
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-benzyl-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one
SMILESCOc1ccc(-c2nc(N3CCOCC3)cc3c2CN(Cc2ccccc2)C3=O)cn1
InChIInChI=1S/C24H24N4O3/c1-30-22-8-7-18(14-25-22)23-20-16-28(15-17-5-3-2-4-6-17)24(29)19(20)13-21(26-23)27-9-11-31-12-10-27/h2-8,13-14H,9-12,15-16H2,1H3
InChIKeyZGPNINZWYGFAHZ-UHFFFAOYSA-N
XLogP3.14
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2-benzyl-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one (CID 134806765) is 2-benzyl-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2-benzyl-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2-benzyl-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is COc1ccc(-c2nc(N3CCOCC3)cc3c2CN(Cc2ccccc2)C3=O)cn1.
What is the InChIKey of 2-benzyl-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is ZGPNINZWYGFAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-30-22-8-7-18(14-25-22)23-20-16-28(15-17-5-3-2-4-6-17)24(29)19(20)13-21(26-23)27-9-11-31-12-10-27/h2-8,13-14H,9-12,15-16H2,1H3.
What are the key properties of 2-benzyl-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one?
2-benzyl-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 416.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(6-methoxy-3-pyridinyl)-6-morpholin-4-yl-3H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 134806765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).