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

C12H17N5 — CID 14855666

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine
SMILESCN1CCN(Cc2nc3ncccc3[nH]2)CC1
InChIInChI=1S/C12H17N5/c1-16-5-7-17(8-6-16)9-11-14-10-3-2-4-13-12(10)15-11/h2-4H,5-9H2,1H3,(H,13,14,15)
InChIKeyCNHATKCLKQEHTD-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.71
Rot. Bonds2

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

2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 14855666) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine
PubChem CID14855666
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine
SMILESCN1CCN(Cc2nc3ncccc3[nH]2)CC1
InChIInChI=1S/C12H17N5/c1-16-5-7-17(8-6-16)9-11-14-10-3-2-4-13-12(10)15-11/h2-4H,5-9H2,1H3,(H,13,14,15)
InChIKeyCNHATKCLKQEHTD-UHFFFAOYSA-N
XLogP0.71
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine (CID 14855666) is 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine is CN1CCN(Cc2nc3ncccc3[nH]2)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is CNHATKCLKQEHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16-5-7-17(8-6-16)9-11-14-10-3-2-4-13-12(10)15-11/h2-4H,5-9H2,1H3,(H,13,14,15).
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine?
2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 231.30 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 14855666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).