2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine

C15H21N3O — CID 79816213

IUPAC2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccc2[nH]c(C3CCCCCC3)nc2n1
InChIInChI=1S/C15H21N3O/c1-2-19-13-10-9-12-15(17-13)18-14(16-12)11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3,(H,16,17,18)
InChIKeyHWJPAMSGJCVRBI-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.79
Rot. Bonds3

About 2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine

2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine (PubChem CID 79816213) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine
PubChem CID79816213
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine
SMILESCCOc1ccc2[nH]c(C3CCCCCC3)nc2n1
InChIInChI=1S/C15H21N3O/c1-2-19-13-10-9-12-15(17-13)18-14(16-12)11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3,(H,16,17,18)
InChIKeyHWJPAMSGJCVRBI-UHFFFAOYSA-N
XLogP3.79
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-butoxyphenyl)-1H-benzimidazole
CID 5176717
1H-Benzimidazole, 2-(6-methoxy-2-pyridinyl)-
CID 3058001
1-[(1S,4S,6S)-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]-N,N-dimethylmethanamine
CID 71692981
2-(4-(benzyloxy)phenyl)-5-(piperidin-4-yl)-3H-imidazo[4,5-b]pyridine
CID 90368114
N,N-dimethyl-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 90368145
7-Methyl-2-(4-(phenoxymethyl)phenyl)-3H-imidazo[4, 5-b]pyridin-5-amine
CID 90368161
5-(1-methylpiperidin-4-yl)-2-(4-(phenoxymethyl)phenyl)-3H-imidazo[4,5-b]pyridine
CID 90368182
2-(4-(Benzyloxy)phenyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridine
CID 90368190
5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 90368228
2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 122441864
2-(6-methoxy-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 44376953
[(1S,4S,6S)-4-[(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-3-methyl-6-propan-2-ylcyclohex-2-en-1-yl]methanamine
CID 71693094

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine (CID 79816213) is 2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine is CCOc1ccc2[nH]c(C3CCCCCC3)nc2n1.
What is the InChIKey of 2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine?
The InChIKey is HWJPAMSGJCVRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-19-13-10-9-12-15(17-13)18-14(16-12)11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3,(H,16,17,18).
What are the key properties of 2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine?
2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine has a molecular weight of 259.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-5-ethoxy-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 79816213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).