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

C24H23ClN4O3 — CID 135332516

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
SMILESCOc1ccc(Cl)cc1Cn1ccc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cc1=O
InChIInChI=1S/C24H23ClN4O3/c1-31-22-3-2-18(25)10-17(22)15-29-5-4-16(11-23(29)30)21-14-27-24-20(21)12-19(13-26-24)28-6-8-32-9-7-28/h2-5,10-14H,6-9,15H2,1H3,(H,26,27)
InChIKeyPTWIBZRPWMZKRY-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.94
Rot. Bonds5

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

1-[(5-chloro-2-methoxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one (PubChem CID 135332516) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
PubChem CID135332516
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one
SMILESCOc1ccc(Cl)cc1Cn1ccc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cc1=O
InChIInChI=1S/C24H23ClN4O3/c1-31-22-3-2-18(25)10-17(22)15-29-5-4-16(11-23(29)30)21-14-27-24-20(21)12-19(13-26-24)28-6-8-32-9-7-28/h2-5,10-14H,6-9,15H2,1H3,(H,26,27)
InChIKeyPTWIBZRPWMZKRY-UHFFFAOYSA-N
XLogP3.94
TPSA72.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.94
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

6-Chloro-N-methyl-2-[4-[2-(4-morpholinyl)ethoxy]phenyl]-3H-imidazo[4,5-b]pyridin-7-amine
CID 10023121
1-(5-Chloro-2-methoxyphenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11584176
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperazine-1-carboxamide
CID 46234149
9-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 49821598
7-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,7-diazaspiro[3.5]nonane-2-carboxamide
CID 66834065
[(2R)-5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 156015131
[5-chloro-7-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 156016018
2-(7-chloro-2-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 45165633
cis-(5-Chloro-2,3-dihydrobenzofuran-2-yl)(4-methyl-3-(methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methanone
CID 49856322
N-(2-(3-((4-(3-chlorophenyl)piperazin-1-yl)methyl)-6-methoxy-1H-pyrrolo[2,3-b]pyridin-1-yl)ethyl)acetamide
CID 54586061
5-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxamide
CID 162658024
2-[(4-chlorophenoxy)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine
CID 10473554

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one (CID 135332516) is 1-[(5-chloro-2-methoxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one is COc1ccc(Cl)cc1Cn1ccc(-c2c[nH]c3ncc(N4CCOCC4)cc23)cc1=O.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
The InChIKey is PTWIBZRPWMZKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-31-22-3-2-18(25)10-17(22)15-29-5-4-16(11-23(29)30)21-14-27-24-20(21)12-19(13-26-24)28-6-8-32-9-7-28/h2-5,10-14H,6-9,15H2,1H3,(H,26,27).
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one?
1-[(5-chloro-2-methoxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one has a molecular weight of 450.93 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-methoxyphenyl)methyl]-4-(5-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-one is sourced from PubChem (CID 135332516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).