4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-1-ylmethyl)pyridin-2-one

C27H24N4O2 — CID 129162852

IUPAC4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-1-ylmethyl)pyridin-2-one
SMILESO=c1cc(-c2c[nH]c3ncc(N4CCOCC4)cc23)ccn1Cc1cccc2ccccc12
InChIInChI=1S/C27H24N4O2/c32-26-14-20(8-9-31(26)18-21-6-3-5-19-4-1-2-7-23(19)21)25-17-29-27-24(25)15-22(16-28-27)30-10-12-33-13-11-30/h1-9,14-17H,10-13,18H2,(H,28,29)
InChIKeyYEVFVUVPICUQCO-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.43
Rot. Bonds4

About 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-1-ylmethyl)pyridin-2-one

4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-1-ylmethyl)pyridin-2-one (PubChem CID 129162852) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-1-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-1-ylmethyl)pyridin-2-one
PubChem CID129162852
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-1-ylmethyl)pyridin-2-one
SMILESO=c1cc(-c2c[nH]c3ncc(N4CCOCC4)cc23)ccn1Cc1cccc2ccccc12
InChIInChI=1S/C27H24N4O2/c32-26-14-20(8-9-31(26)18-21-6-3-5-19-4-1-2-7-23(19)21)25-17-29-27-24(25)15-22(16-28-27)30-10-12-33-13-11-30/h1-9,14-17H,10-13,18H2,(H,28,29)
InChIKeyYEVFVUVPICUQCO-UHFFFAOYSA-N
XLogP4.43
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-1-ylmethyl)pyridin-2-one?
The IUPAC name of 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-1-ylmethyl)pyridin-2-one (CID 129162852) is 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-1-ylmethyl)pyridin-2-one.
What is the SMILES notation for 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-1-ylmethyl)pyridin-2-one?
The canonical SMILES for 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-1-ylmethyl)pyridin-2-one is O=c1cc(-c2c[nH]c3ncc(N4CCOCC4)cc23)ccn1Cc1cccc2ccccc12.
What is the InChIKey of 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-1-ylmethyl)pyridin-2-one?
The InChIKey is YEVFVUVPICUQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c32-26-14-20(8-9-31(26)18-21-6-3-5-19-4-1-2-7-23(19)21)25-17-29-27-24(25)15-22(16-28-27)30-10-12-33-13-11-30/h1-9,14-17H,10-13,18H2,(H,28,29).
What are the key properties of 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-1-ylmethyl)pyridin-2-one?
4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-1-ylmethyl)pyridin-2-one has a molecular weight of 436.52 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-1-ylmethyl)pyridin-2-one is sourced from PubChem (CID 129162852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).