1-[2-(oxan-4-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one

C20H21N5O2 — CID 67077979

IUPAC1-[2-(oxan-4-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cnc4[nH]ccc4c3)cc2n1CCC1CCOCC1
InChIInChI=1S/C20H21N5O2/c26-20-24-19-17(25(20)6-2-13-3-7-27-8-4-13)10-16(12-23-19)15-9-14-1-5-21-18(14)22-11-15/h1,5,9-13H,2-4,6-8H2,(H,21,22)(H,23,24,26)
InChIKeyOMAKMXZHLKPAMC-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.08
Rot. Bonds4

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

1-[2-(oxan-4-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 67077979) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[2-(oxan-4-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(oxan-4-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID67077979
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name1-[2-(oxan-4-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncc(-c3cnc4[nH]ccc4c3)cc2n1CCC1CCOCC1
InChIInChI=1S/C20H21N5O2/c26-20-24-19-17(25(20)6-2-13-3-7-27-8-4-13)10-16(12-23-19)15-9-14-1-5-21-18(14)22-11-15/h1,5,9-13H,2-4,6-8H2,(H,21,22)(H,23,24,26)
InChIKeyOMAKMXZHLKPAMC-UHFFFAOYSA-N
XLogP3.08
TPSA88.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[2-(oxan-4-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one (CID 67077979) is 1-[2-(oxan-4-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[2-(oxan-4-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[2-(oxan-4-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncc(-c3cnc4[nH]ccc4c3)cc2n1CCC1CCOCC1.
What is the InChIKey of 1-[2-(oxan-4-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is OMAKMXZHLKPAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-20-24-19-17(25(20)6-2-13-3-7-27-8-4-13)10-16(12-23-19)15-9-14-1-5-21-18(14)22-11-15/h1,5,9-13H,2-4,6-8H2,(H,21,22)(H,23,24,26).
What are the key properties of 1-[2-(oxan-4-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one?
1-[2-(oxan-4-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 363.42 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-yl)ethyl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67077979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).