2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine

C17H21N7 — CID 19911489

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCN1CCN(Cc2nc3cccnc3n2Cc2cnccn2)CC1
InChIInChI=1S/C17H21N7/c1-22-7-9-23(10-8-22)13-16-21-15-3-2-4-20-17(15)24(16)12-14-11-18-5-6-19-14/h2-6,11H,7-10,12-13H2,1H3
InChIKeyQGQQKKDSPZXRGH-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.02
Rot. Bonds4

About 2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine

2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 19911489) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID19911489
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCN1CCN(Cc2nc3cccnc3n2Cc2cnccn2)CC1
InChIInChI=1S/C17H21N7/c1-22-7-9-23(10-8-22)13-16-21-15-3-2-4-20-17(15)24(16)12-14-11-18-5-6-19-14/h2-6,11H,7-10,12-13H2,1H3
InChIKeyQGQQKKDSPZXRGH-UHFFFAOYSA-N
XLogP1.02
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine (CID 19911489) is 2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine is CN1CCN(Cc2nc3cccnc3n2Cc2cnccn2)CC1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is QGQQKKDSPZXRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-22-7-9-23(10-8-22)13-16-21-15-3-2-4-20-17(15)24(16)12-14-11-18-5-6-19-14/h2-6,11H,7-10,12-13H2,1H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine?
2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 323.40 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-3-(pyrazin-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 19911489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).