1-[3-(2-hydroxyethoxy)propyl]-6-(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one

C19H21N5O4 — CID 90291672

IUPAC1-[3-(2-hydroxyethoxy)propyl]-6-(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1c[nH]c2ncc(-c3cnc4[nH]c(=O)n(CCCOCCO)c4c3)cc12
InChIInChI=1S/C19H21N5O4/c1-27-16-11-22-17-14(16)7-12(9-20-17)13-8-15-18(21-10-13)23-19(26)24(15)3-2-5-28-6-4-25/h7-11,25H,2-6H2,1H3,(H,20,22)(H,21,23,26)
InChIKeyLALMYIBZHWWJHM-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.68
Rot. Bonds8

About 1-[3-(2-hydroxyethoxy)propyl]-6-(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one

1-[3-(2-hydroxyethoxy)propyl]-6-(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 90291672) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethoxy)propyl]-6-(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyethoxy)propyl]-6-(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID90291672
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name1-[3-(2-hydroxyethoxy)propyl]-6-(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1c[nH]c2ncc(-c3cnc4[nH]c(=O)n(CCCOCCO)c4c3)cc12
InChIInChI=1S/C19H21N5O4/c1-27-16-11-22-17-14(16)7-12(9-20-17)13-8-15-18(21-10-13)23-19(26)24(15)3-2-5-28-6-4-25/h7-11,25H,2-6H2,1H3,(H,20,22)(H,21,23,26)
InChIKeyLALMYIBZHWWJHM-UHFFFAOYSA-N
XLogP1.68
TPSA118.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethoxy)propyl]-6-(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[3-(2-hydroxyethoxy)propyl]-6-(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one (CID 90291672) is 1-[3-(2-hydroxyethoxy)propyl]-6-(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[3-(2-hydroxyethoxy)propyl]-6-(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[3-(2-hydroxyethoxy)propyl]-6-(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one is COc1c[nH]c2ncc(-c3cnc4[nH]c(=O)n(CCCOCCO)c4c3)cc12.
What is the InChIKey of 1-[3-(2-hydroxyethoxy)propyl]-6-(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is LALMYIBZHWWJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-27-16-11-22-17-14(16)7-12(9-20-17)13-8-15-18(21-10-13)23-19(26)24(15)3-2-5-28-6-4-25/h7-11,25H,2-6H2,1H3,(H,20,22)(H,21,23,26).
What are the key properties of 1-[3-(2-hydroxyethoxy)propyl]-6-(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one?
1-[3-(2-hydroxyethoxy)propyl]-6-(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 383.41 g/mol, XLogP of 1.68, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethoxy)propyl]-6-(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 90291672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).