6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-pyrrolo[2,3-b]pyridin-2-one

C22H27N3O3 — CID 162118561

IUPAC6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESCOCCOc1ccc2c(n1)N(Cc1ccc(CN3CCCC3)cc1)C(=O)C2
InChIInChI=1S/C22H27N3O3/c1-27-12-13-28-20-9-8-19-14-21(26)25(22(19)23-20)16-18-6-4-17(5-7-18)15-24-10-2-3-11-24/h4-9H,2-3,10-16H2,1H3
InChIKeyZHCFPYKVRDAHJT-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.79
Rot. Bonds8

About 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-pyrrolo[2,3-b]pyridin-2-one

6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 162118561) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID162118561
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-pyrrolo[2,3-b]pyridin-2-one
SMILESCOCCOc1ccc2c(n1)N(Cc1ccc(CN3CCCC3)cc1)C(=O)C2
InChIInChI=1S/C22H27N3O3/c1-27-12-13-28-20-9-8-19-14-21(26)25(22(19)23-20)16-18-6-4-17(5-7-18)15-24-10-2-3-11-24/h4-9H,2-3,10-16H2,1H3
InChIKeyZHCFPYKVRDAHJT-UHFFFAOYSA-N
XLogP2.79
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyethoxy)-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 149423008
2-(2-methoxyethylamino)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158193442
4-amino-2-(2-methoxyethoxy)-7-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58130067
deuterio(iodo)methane;2-(2-methoxyethoxy)-4-N-[[4-(2-pyrrolidin-1-ylethyl)phenyl]methyl]pyrimidine-4,5-diamine;2-(2-methoxyethoxy)-7-[[4-(2-pyrrolidin-1-ylethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160597875
4-amino-2-butoxy-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5,7-dihydropyrido[2,3-d]pyrimidin-6-one;4-amino-2-butoxy-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione;4-amino-2-(2-methoxyethoxy)-8-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-5H-pyrido[2,3-d]pyrimidine-6,7-dione
CID 163936118
2-butylsulfanyl-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 149411116
2-(butylamino)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158193443
6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 134561023
4-amino-2-(2-methoxyethoxy)-7-[[4-[[2-methoxyethyl(propyl)amino]methyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58129987
4-amino-2-butoxy-7-[[4-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58234497
4-[(4-chlorophenyl)methyl]-N-[6-(2-methoxyethoxy)-3-pyridinyl]-1,4-diazepane-1-carboxamide
CID 55743349
4-amino-7-[[4-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-2-(2-methoxyethoxy)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 58130057

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-pyrrolo[2,3-b]pyridin-2-one (CID 162118561) is 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-pyrrolo[2,3-b]pyridin-2-one is COCCOc1ccc2c(n1)N(Cc1ccc(CN3CCCC3)cc1)C(=O)C2.
What is the InChIKey of 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is ZHCFPYKVRDAHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-27-12-13-28-20-9-8-19-14-21(26)25(22(19)23-20)16-18-6-4-17(5-7-18)15-24-10-2-3-11-24/h4-9H,2-3,10-16H2,1H3.
What are the key properties of 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-pyrrolo[2,3-b]pyridin-2-one?
6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 381.48 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 162118561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).