1-[[3-chloro-5-(methoxymethyl)phenyl]methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one

C26H27ClN4O3 — CID 161080930

IUPAC1-[[3-chloro-5-(methoxymethyl)phenyl]methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
SMILESCOCc1cc(Cl)cc(Cn2ccc(-c3cn(C)c4ncc(N5CCOCC5)cc34)cc2=O)c1
InChIInChI=1S/C26H27ClN4O3/c1-29-16-24(23-13-22(14-28-26(23)29)30-5-7-34-8-6-30)20-3-4-31(25(32)12-20)15-18-9-19(17-33-2)11-21(27)10-18/h3-4,9-14,16H,5-8,15,17H2,1-2H3
InChIKeyUFXAPOZAAKNILK-UHFFFAOYSA-N
MW478.98 g/mol
LogP4.09
Rot. Bonds6

About 1-[[3-chloro-5-(methoxymethyl)phenyl]methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one

1-[[3-chloro-5-(methoxymethyl)phenyl]methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one (PubChem CID 161080930) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is 1-[[3-chloro-5-(methoxymethyl)phenyl]methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[[3-chloro-5-(methoxymethyl)phenyl]methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
PubChem CID161080930
Molecular FormulaC26H27ClN4O3
Molecular Weight478.98 g/mol
Exact Mass478.18
IUPAC Name1-[[3-chloro-5-(methoxymethyl)phenyl]methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
SMILESCOCc1cc(Cl)cc(Cn2ccc(-c3cn(C)c4ncc(N5CCOCC5)cc34)cc2=O)c1
InChIInChI=1S/C26H27ClN4O3/c1-29-16-24(23-13-22(14-28-26(23)29)30-5-7-34-8-6-30)20-3-4-31(25(32)12-20)15-18-9-19(17-33-2)11-21(27)10-18/h3-4,9-14,16H,5-8,15,17H2,1-2H3
InChIKeyUFXAPOZAAKNILK-UHFFFAOYSA-N
XLogP4.09
TPSA61.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-[(4-chlorophenyl)methyl]-4-(5-morpholin-4-yl-1-sulfanylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 145311929
[3-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methyl dihydrogen phosphate
CID 135332484
ethane;1-[(4-fluoro-3-methylphenyl)methyl]-4-(5-morpholin-4-yl-1-sulfanylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 145311908
ditert-butyl [3-[1-[(3-fluoro-5-methylphenyl)methyl]-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methyl phosphate
CID 146246746
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
1-[(5-chloro-2-methoxyphenyl)methyl]-4-[1-(4-methylphenyl)sulfonyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyridin-2-one
CID 135332429
1-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-4-[1-(4-methylphenyl)sulfonyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyridin-2-one
CID 135332427
[3-[1-[(3-chloro-2-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate
CID 135332459
4-[1-(4-methylphenyl)sulfonyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one
CID 135332455
1-[2-[butan-2-yl(methyl)amino]-1-(3-chlorophenyl)ethyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 170022037
1-[(3-chloro-2-fluorophenyl)methyl]-4-[1-methyl-5-[2-(phenylmethoxymethyl)morpholin-4-yl]pyrrolo[2,3-b]pyridin-3-yl]pyridin-2-one
CID 158154532

Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-5-(methoxymethyl)phenyl]methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The IUPAC name of 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) is 1-[[3-chloro-5-(methoxymethyl)phenyl]methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one.
What is the SMILES notation for 1-[[3-chloro-5-(methoxymethyl)phenyl]methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The canonical SMILES for 1-[[3-chloro-5-(methoxymethyl)phenyl]methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one is COCc1cc(Cl)cc(Cn2ccc(-c3cn(C)c4ncc(N5CCOCC5)cc34)cc2=O)c1.
What is the InChIKey of 1-[[3-chloro-5-(methoxymethyl)phenyl]methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The InChIKey is UFXAPOZAAKNILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O3/c1-29-16-24(23-13-22(14-28-26(23)29)30-5-7-34-8-6-30)20-3-4-31(25(32)12-20)15-18-9-19(17-33-2)11-21(27)10-18/h3-4,9-14,16H,5-8,15,17H2,1-2H3.
What are the key properties of 1-[[3-chloro-5-(methoxymethyl)phenyl]methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
1-[[3-chloro-5-(methoxymethyl)phenyl]methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one has a molecular weight of 478.98 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-chloro-5-(methoxymethyl)phenyl]methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one is sourced from PubChem (CID 161080930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).