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

C14H19N3O — CID 63950960

IUPAC7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1ccnc2nc(CCC3CCCCO3)[nH]c12
InChIInChI=1S/C14H19N3O/c1-10-7-8-15-14-13(10)16-12(17-14)6-5-11-4-2-3-9-18-11/h7-8,11H,2-6,9H2,1H3,(H,15,16,17)
InChIKeyCUDUVHYJEXUVLV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.77
Rot. Bonds3

About 7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine

7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 63950960) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
PubChem CID63950960
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1ccnc2nc(CCC3CCCCO3)[nH]c12
InChIInChI=1S/C14H19N3O/c1-10-7-8-15-14-13(10)16-12(17-14)6-5-11-4-2-3-9-18-11/h7-8,11H,2-6,9H2,1H3,(H,15,16,17)
InChIKeyCUDUVHYJEXUVLV-UHFFFAOYSA-N
XLogP2.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-2-(oxan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 63722483
7-methyl-2-(2-propoxyethyl)-1H-imidazo[4,5-b]pyridine
CID 63722820
2-methyl-N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]propan-2-amine
CID 55230388
N-[2-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]aniline
CID 55230581
2-[2-(4-methoxyphenyl)ethyl]-7-methyl-1H-imidazo[4,5-b]pyridine
CID 63725024
5,6-dichloro-2-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 113360918
2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazol-4-amine
CID 65155678
4-chloro-2-[2-(oxolan-2-yl)ethyl]-1H-benzimidazole
CID 65155499
4,6-difluoro-2-[2-(oxan-2-yl)ethyl]-1H-benzimidazole
CID 81462840
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 61015871
3-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)cyclohexan-1-amine
CID 63722980
N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62747716

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine (CID 63950960) is 7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine is Cc1ccnc2nc(CCC3CCCCO3)[nH]c12.
What is the InChIKey of 7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is CUDUVHYJEXUVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-7-8-15-14-13(10)16-12(17-14)6-5-11-4-2-3-9-18-11/h7-8,11H,2-6,9H2,1H3,(H,15,16,17).
What are the key properties of 7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine?
7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 245.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[2-(oxan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 63950960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).