1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one

C26H27ClN4O3 — CID 135332467

IUPAC1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
SMILESCC(C)Oc1cc(Cl)cc(Cn2ccc(-c3c[nH]c4ncc(N5CCOCC5)cc34)cc2=O)c1
InChIInChI=1S/C26H27ClN4O3/c1-17(2)34-22-10-18(9-20(27)12-22)16-31-4-3-19(11-25(31)32)24-15-29-26-23(24)13-21(14-28-26)30-5-7-33-8-6-30/h3-4,9-15,17H,5-8,16H2,1-2H3,(H,28,29)
InChIKeyMOKRHTIKUJEOPE-UHFFFAOYSA-N
MW478.98 g/mol
LogP4.72
Rot. Bonds6

About 1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one

1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one (PubChem CID 135332467) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is 1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
PubChem CID135332467
Molecular FormulaC26H27ClN4O3
Molecular Weight478.98 g/mol
Exact Mass478.18
IUPAC Name1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
SMILESCC(C)Oc1cc(Cl)cc(Cn2ccc(-c3c[nH]c4ncc(N5CCOCC5)cc34)cc2=O)c1
InChIInChI=1S/C26H27ClN4O3/c1-17(2)34-22-10-18(9-20(27)12-22)16-31-4-3-19(11-25(31)32)24-15-29-26-23(24)13-21(14-28-26)30-5-7-33-8-6-30/h3-4,9-15,17H,5-8,16H2,1-2H3,(H,28,29)
InChIKeyMOKRHTIKUJEOPE-UHFFFAOYSA-N
XLogP4.72
TPSA72.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 54.72
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-[1-(3,5-dichlorophenyl)-2-(dimethylamino)ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 168851190
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
1-[(3-chlorophenyl)methyl]-4-(2-morpholin-4-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyridin-2-one
CID 129163182
1-[(1S)-1-(3,4-difluorophenyl)-2-(dimethylamino)ethyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 168851185
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
4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-one
CID 170009427
1-[(4-chlorophenyl)methyl]-4-(5-morpholin-4-yl-1-sulfanylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 145311929
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-chloro-4-methylphenyl)methyl]-4-(1-methyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
CID 170021201
3-[(1S)-2-(dimethylamino)-1-[4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxo-1-pyridinyl]ethyl]benzonitrile
CID 168851195
[3-[1-[(3-chlorophenyl)methyl]-2-oxo-4-pyridinyl]-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methyl dihydrogen phosphate
CID 135332484

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The IUPAC name of 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) is 1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one.
What is the SMILES notation for 1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The canonical SMILES for 1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one is CC(C)Oc1cc(Cl)cc(Cn2ccc(-c3c[nH]c4ncc(N5CCOCC5)cc34)cc2=O)c1.
What is the InChIKey of 1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The InChIKey is MOKRHTIKUJEOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O3/c1-17(2)34-22-10-18(9-20(27)12-22)16-31-4-3-19(11-25(31)32)24-15-29-26-23(24)13-21(14-28-26)30-5-7-33-8-6-30/h3-4,9-15,17H,5-8,16H2,1-2H3,(H,28,29).
What are the key properties of 1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one has a molecular weight of 478.98 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-5-propan-2-yloxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one is sourced from PubChem (CID 135332467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).