6-[1-[2-(oxan-4-yl)ethyl]-2H-pyrazin-5-yl]-1H-imidazo[4,5-b]pyridine

C17H21N5O — CID 141403081

IUPAC6-[1-[2-(oxan-4-yl)ethyl]-2H-pyrazin-5-yl]-1H-imidazo[4,5-b]pyridine
SMILESC1=NC(c2cnc3nc[nH]c3c2)=CN(CCC2CCOCC2)C1
InChIInChI=1S/C17H21N5O/c1(13-2-7-23-8-3-13)5-22-6-4-18-16(11-22)14-9-15-17(19-10-14)21-12-20-15/h4,9-13H,1-3,5-8H2,(H,19,20,21)
InChIKeyPXGRYIRAADKHKP-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.46
Rot. Bonds4

About 6-[1-[2-(oxan-4-yl)ethyl]-2H-pyrazin-5-yl]-1H-imidazo[4,5-b]pyridine

6-[1-[2-(oxan-4-yl)ethyl]-2H-pyrazin-5-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 141403081) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-[1-[2-(oxan-4-yl)ethyl]-2H-pyrazin-5-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[1-[2-(oxan-4-yl)ethyl]-2H-pyrazin-5-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID141403081
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name6-[1-[2-(oxan-4-yl)ethyl]-2H-pyrazin-5-yl]-1H-imidazo[4,5-b]pyridine
SMILESC1=NC(c2cnc3nc[nH]c3c2)=CN(CCC2CCOCC2)C1
InChIInChI=1S/C17H21N5O/c1(13-2-7-23-8-3-13)5-22-6-4-18-16(11-22)14-9-15-17(19-10-14)21-12-20-15/h4,9-13H,1-3,5-8H2,(H,19,20,21)
InChIKeyPXGRYIRAADKHKP-UHFFFAOYSA-N
XLogP2.46
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(oxan-4-yl)ethyl]-5-[4-(1H-1,2,4-triazol-5-yl)phenyl]-2H-pyrazine
CID 90101638
6-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
CID 12784298
N-(1H-imidazo[4,5-b]pyridin-6-yl)morpholine-4-carboxamide
CID 110869772
1-(oxan-4-yl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]-2H-pyrazine
CID 68620408
2,2-dimethyl-5-[2-methyl-4-(1H-1,2,4-triazol-5-yl)phenyl]-1-[2-(oxan-4-yl)ethyl]pyrazine
CID 70654147
8-[2-(oxan-4-yl)ethyl]-3-pyridin-3-yl-7H-pyrazino[2,3-b]pyrazine
CID 67367016
4-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 24995428
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
1-[2-(oxan-4-yl)ethyl]pyrazol-4-ol
CID 131218916
5-(1H-imidazo[4,5-b]pyridin-6-yl)-1H-pyridin-2-one
CID 141435972
5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine
CID 66699694
2-chloro-6-(oxan-4-ylmethoxy)-7H-purine
CID 113453025

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(oxan-4-yl)ethyl]-2H-pyrazin-5-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-[1-[2-(oxan-4-yl)ethyl]-2H-pyrazin-5-yl]-1H-imidazo[4,5-b]pyridine (CID 141403081) is 6-[1-[2-(oxan-4-yl)ethyl]-2H-pyrazin-5-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-[1-[2-(oxan-4-yl)ethyl]-2H-pyrazin-5-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-[1-[2-(oxan-4-yl)ethyl]-2H-pyrazin-5-yl]-1H-imidazo[4,5-b]pyridine is C1=NC(c2cnc3nc[nH]c3c2)=CN(CCC2CCOCC2)C1.
What is the InChIKey of 6-[1-[2-(oxan-4-yl)ethyl]-2H-pyrazin-5-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is PXGRYIRAADKHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1(13-2-7-23-8-3-13)5-22-6-4-18-16(11-22)14-9-15-17(19-10-14)21-12-20-15/h4,9-13H,1-3,5-8H2,(H,19,20,21).
What are the key properties of 6-[1-[2-(oxan-4-yl)ethyl]-2H-pyrazin-5-yl]-1H-imidazo[4,5-b]pyridine?
6-[1-[2-(oxan-4-yl)ethyl]-2H-pyrazin-5-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 311.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(oxan-4-yl)ethyl]-2H-pyrazin-5-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 141403081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).