5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine

C12H17N5O — CID 65483646

IUPAC5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(CN3CCNCC3)nc2n1
InChIInChI=1S/C12H17N5O/c1-18-11-3-2-9-12(16-11)15-10(14-9)8-17-6-4-13-5-7-17/h2-3,13H,4-8H2,1H3,(H,14,15,16)
InChIKeyVVAVJYOXZIAQBL-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.37
Rot. Bonds3

About 5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine

5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 65483646) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID65483646
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(CN3CCNCC3)nc2n1
InChIInChI=1S/C12H17N5O/c1-18-11-3-2-9-12(16-11)15-10(14-9)8-17-6-4-13-5-7-17/h2-3,13H,4-8H2,1H3,(H,14,15,16)
InChIKeyVVAVJYOXZIAQBL-UHFFFAOYSA-N
XLogP0.37
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 79615004
2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 167913792
5-methoxy-2-(piperidin-4-yloxymethyl)-1H-imidazo[4,5-b]pyridine
CID 65484225
5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 103557135
2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65482700
1-[(2,6-dimethoxy-4-pyridinyl)methyl]piperazine
CID 84700154
N-ethyl-2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethanamine
CID 65485408
4,5-difluoro-2-(piperazin-1-ylmethyl)-1H-benzimidazole
CID 112556569
7-methoxy-4-(piperazin-1-ylmethyl)-2-piperidin-1-yl-1,8-naphthyridine
CID 11727574
N-[2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)ethyl]-2-methylpropan-2-amine
CID 65485009
6-bromo-2-(1,4-diazepan-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 62823234
1-amino-3-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-2-ol
CID 66001162

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine (CID 65483646) is 5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine is COc1ccc2[nH]c(CN3CCNCC3)nc2n1.
What is the InChIKey of 5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is VVAVJYOXZIAQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-18-11-3-2-9-12(16-11)15-10(14-9)8-17-6-4-13-5-7-17/h2-3,13H,4-8H2,1H3,(H,14,15,16).
What are the key properties of 5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine?
5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 247.30 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 65483646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).