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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Related Compounds

1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 135332467
[3-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methyl dihydrogen phosphate
CID 135332484
1-benzyl-4-[2-(5-methyl-1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridin-2-one
CID 118275162
2-tert-butyl-4-[3-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]piperazine-1-carboxylic acid
CID 135332576
1-[(3,4-dichlorophenyl)methyl]-4-[5-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-2-one
CID 135332395
1-[(3-iodophenyl)methyl]-4-(3-morpholin-4-yl-7H-cyclopenta[b]pyridin-5-yl)pyridin-2-one
CID 157089905
1-[1-(3-chlorophenyl)-2-[cyclopropyl(methyl)amino]ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 168851094
1-[(4-chlorophenyl)methyl]-4-(5-morpholin-4-yl-1-sulfanylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 145311929
1-[(3-chlorophenyl)methyl]-4-[3-(4-methylpiperazin-1-yl)-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one
CID 161105509
1-[(3-chloro-4-methylphenyl)methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 170021201
1-[(3-chlorophenyl)methyl]-4-[3-[2-(methoxymethyl)morpholin-4-yl]-7H-cyclopenta[b]pyridin-5-yl]pyridin-2-one
CID 158629782
1-[[3-chloro-5-(methoxymethyl)phenyl]methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 161080930

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).