2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-phenyl-1H-imidazo[4,5-b]pyridine

C24H25N5 — CID 141173667

IUPAC2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-phenyl-1H-imidazo[4,5-b]pyridine
SMILESCN1CCN(Cc2ccc(-c3nc4nccc(-c5ccccc5)c4[nH]3)cc2)CC1
InChIInChI=1S/C24H25N5/c1-28-13-15-29(16-14-28)17-18-7-9-20(10-8-18)23-26-22-21(11-12-25-24(22)27-23)19-5-3-2-4-6-19/h2-12H,13-17H2,1H3,(H,25,26,27)
InChIKeyGPHSLWKGPVWPQZ-UHFFFAOYSA-N
MW383.50 g/mol
LogP4.04
Rot. Bonds4

About 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-phenyl-1H-imidazo[4,5-b]pyridine

2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-phenyl-1H-imidazo[4,5-b]pyridine (PubChem CID 141173667) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-phenyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-phenyl-1H-imidazo[4,5-b]pyridine
PubChem CID141173667
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-phenyl-1H-imidazo[4,5-b]pyridine
SMILESCN1CCN(Cc2ccc(-c3nc4nccc(-c5ccccc5)c4[nH]3)cc2)CC1
InChIInChI=1S/C24H25N5/c1-28-13-15-29(16-14-28)17-18-7-9-20(10-8-18)23-26-22-21(11-12-25-24(22)27-23)19-5-3-2-4-6-19/h2-12H,13-17H2,1H3,(H,25,26,27)
InChIKeyGPHSLWKGPVWPQZ-UHFFFAOYSA-N
XLogP4.04
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-phenyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-phenyl-1H-imidazo[4,5-b]pyridine (CID 141173667) is 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-phenyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-phenyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-phenyl-1H-imidazo[4,5-b]pyridine is CN1CCN(Cc2ccc(-c3nc4nccc(-c5ccccc5)c4[nH]3)cc2)CC1.
What is the InChIKey of 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-phenyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is GPHSLWKGPVWPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-28-13-15-29(16-14-28)17-18-7-9-20(10-8-18)23-26-22-21(11-12-25-24(22)27-23)19-5-3-2-4-6-19/h2-12H,13-17H2,1H3,(H,25,26,27).
What are the key properties of 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-phenyl-1H-imidazo[4,5-b]pyridine?
2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-phenyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 383.50 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7-phenyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 141173667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).