2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine

C17H17F2N5 — CID 122196548

IUPAC2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
SMILESCN1CCN(c2nccc3[nH]c(-c4ccc(F)c(F)c4)nc23)CC1
InChIInChI=1S/C17H17F2N5/c1-23-6-8-24(9-7-23)17-15-14(4-5-20-17)21-16(22-15)11-2-3-12(18)13(19)10-11/h2-5,10H,6-9H2,1H3,(H,21,22)
InChIKeyOOVMHMLKNJSBOY-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.65
Rot. Bonds2

About 2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine

2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 122196548) has the molecular formula C17H17F2N5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID122196548
Molecular FormulaC17H17F2N5
Molecular Weight329.35 g/mol
Exact Mass329.15
IUPAC Name2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine
SMILESCN1CCN(c2nccc3[nH]c(-c4ccc(F)c(F)c4)nc23)CC1
InChIInChI=1S/C17H17F2N5/c1-23-6-8-24(9-7-23)17-15-14(4-5-20-17)21-16(22-15)11-2-3-12(18)13(19)10-11/h2-5,10H,6-9H2,1H3,(H,21,22)
InChIKeyOOVMHMLKNJSBOY-UHFFFAOYSA-N
XLogP2.65
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine (CID 122196548) is 2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine is CN1CCN(c2nccc3[nH]c(-c4ccc(F)c(F)c4)nc23)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is OOVMHMLKNJSBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5/c1-23-6-8-24(9-7-23)17-15-14(4-5-20-17)21-16(22-15)11-2-3-12(18)13(19)10-11/h2-5,10H,6-9H2,1H3,(H,21,22).
What are the key properties of 2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine?
2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 329.35 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 122196548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).