2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine

C17H19BrN6O — CID 167913792

IUPAC2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(CN3CCN(c4ccc(Br)cn4)CC3)nc2n1
InChIInChI=1S/C17H19BrN6O/c1-25-16-5-3-13-17(22-16)21-14(20-13)11-23-6-8-24(9-7-23)15-4-2-12(18)10-19-15/h2-5,10H,6-9,11H2,1H3,(H,20,21,22)
InChIKeyNOGZFRSZMCVXRC-UHFFFAOYSA-N
MW403.28 g/mol
LogP2.45
Rot. Bonds4

About 2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine

2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine (PubChem CID 167913792) has the molecular formula C17H19BrN6O and a molecular weight of 403.28 g/mol. Its IUPAC name is 2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
PubChem CID167913792
Molecular FormulaC17H19BrN6O
Molecular Weight403.28 g/mol
Exact Mass402.08
IUPAC Name2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc2[nH]c(CN3CCN(c4ccc(Br)cn4)CC3)nc2n1
InChIInChI=1S/C17H19BrN6O/c1-25-16-5-3-13-17(22-16)21-14(20-13)11-23-6-8-24(9-7-23)15-4-2-12(18)10-19-15/h2-5,10H,6-9,11H2,1H3,(H,20,21,22)
InChIKeyNOGZFRSZMCVXRC-UHFFFAOYSA-N
XLogP2.45
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

5-methoxy-2-(piperazin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 65483646
1-(5-bromo-2-pyridinyl)-4-[(5-methylthiophen-2-yl)methyl]piperazine
CID 112823407
6-bromo-2-(piperidin-1-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 56793487
5-methoxy-2-[(1-methoxycyclobutyl)methyl]-1H-imidazo[4,5-b]pyridine
CID 103557135
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine
CID 60869692
5-bromo-2-(4-ethoxypiperidin-1-yl)pyridine
CID 61374151
3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 55702249
5-methoxy-2-(piperidin-4-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 79615004
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl acetate
CID 91886723
2-[[4-(5-bromo-3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 166601916
2-[(4-fluorophenyl)methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine
CID 65482700
[3-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine;dihydrochloride
CID 120752650

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine (CID 167913792) is 2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine is COc1ccc2[nH]c(CN3CCN(c4ccc(Br)cn4)CC3)nc2n1.
What is the InChIKey of 2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine?
The InChIKey is NOGZFRSZMCVXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN6O/c1-25-16-5-3-13-17(22-16)21-14(20-13)11-23-6-8-24(9-7-23)15-4-2-12(18)10-19-15/h2-5,10H,6-9,11H2,1H3,(H,20,21,22).
What are the key properties of 2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine?
2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine has a molecular weight of 403.28 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-bromo-2-pyridinyl)piperazin-1-yl]methyl]-5-methoxy-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 167913792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).