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

C27H24N4O2 — CID 129162853

IUPAC4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-2-ylmethyl)pyridin-2-one
SMILESO=c1cc(-c2c[nH]c3ncc(N4CCOCC4)cc23)ccn1Cc1ccc2ccccc2c1
InChIInChI=1S/C27H24N4O2/c32-26-14-22(7-8-31(26)18-19-5-6-20-3-1-2-4-21(20)13-19)25-17-29-27-24(25)15-23(16-28-27)30-9-11-33-12-10-30/h1-8,13-17H,9-12,18H2,(H,28,29)
InChIKeyLWQOSDVUZSZGJN-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-2-ylmethyl)pyridin-2-one

4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-2-ylmethyl)pyridin-2-one (PubChem CID 129162853) 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-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-2-ylmethyl)pyridin-2-one
PubChem CID129162853
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-2-ylmethyl)pyridin-2-one
SMILESO=c1cc(-c2c[nH]c3ncc(N4CCOCC4)cc23)ccn1Cc1ccc2ccccc2c1
InChIInChI=1S/C27H24N4O2/c32-26-14-22(7-8-31(26)18-19-5-6-20-3-1-2-4-21(20)13-19)25-17-29-27-24(25)15-23(16-28-27)30-9-11-33-12-10-30/h1-8,13-17H,9-12,18H2,(H,28,29)
InChIKeyLWQOSDVUZSZGJN-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-2-ylmethyl)pyridin-2-one?
The IUPAC name of 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-2-ylmethyl)pyridin-2-one (CID 129162853) is 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-2-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-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-2-ylmethyl)pyridin-2-one is O=c1cc(-c2c[nH]c3ncc(N4CCOCC4)cc23)ccn1Cc1ccc2ccccc2c1.
What is the InChIKey of 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-2-ylmethyl)pyridin-2-one?
The InChIKey is LWQOSDVUZSZGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c32-26-14-22(7-8-31(26)18-19-5-6-20-3-1-2-4-21(20)13-19)25-17-29-27-24(25)15-23(16-28-27)30-9-11-33-12-10-30/h1-8,13-17H,9-12,18H2,(H,28,29).
What are the key properties of 4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-2-ylmethyl)pyridin-2-one?
4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-(naphthalen-2-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-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 129162853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).