1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one

C22H20ClN5O2 — CID 129163182

IUPAC1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one
SMILESO=c1cc(-c2c[nH]c3ncc(N4CCOCC4)nc23)ccn1Cc1cccc(Cl)c1
InChIInChI=1S/C22H20ClN5O2/c23-17-3-1-2-15(10-17)14-28-5-4-16(11-20(28)29)18-12-24-22-21(18)26-19(13-25-22)27-6-8-30-9-7-27/h1-5,10-13H,6-9,14H2,(H,24,25)
InChIKeyDHDKRGUWQOABNO-UHFFFAOYSA-N
MW421.89 g/mol
LogP3.32
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one

1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one (PubChem CID 129163182) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one
PubChem CID129163182
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC Name1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one
SMILESO=c1cc(-c2c[nH]c3ncc(N4CCOCC4)nc23)ccn1Cc1cccc(Cl)c1
InChIInChI=1S/C22H20ClN5O2/c23-17-3-1-2-15(10-17)14-28-5-4-16(11-20(28)29)18-12-24-22-21(18)26-19(13-25-22)27-6-8-30-9-7-27/h1-5,10-13H,6-9,14H2,(H,24,25)
InChIKeyDHDKRGUWQOABNO-UHFFFAOYSA-N
XLogP3.32
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one (CID 129163182) is 1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one is O=c1cc(-c2c[nH]c3ncc(N4CCOCC4)nc23)ccn1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one?
The InChIKey is DHDKRGUWQOABNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c23-17-3-1-2-15(10-17)14-28-5-4-16(11-20(28)29)18-12-24-22-21(18)26-19(13-25-22)27-6-8-30-9-7-27/h1-5,10-13H,6-9,14H2,(H,24,25).
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one?
1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one has a molecular weight of 421.89 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one is sourced from PubChem (CID 129163182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).