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

C24H30F2N6 — CID 162664186

IUPAC2-(3,5-difluorophenyl)-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]imidazo[4,5-c]pyridine
SMILESCN1CCN(CC2CCN(c3nccc4c3nc(-c3cc(F)cc(F)c3)n4C)CC2)CC1
InChIInChI=1S/C24H30F2N6/c1-29-9-11-31(12-10-29)16-17-4-7-32(8-5-17)24-22-21(3-6-27-24)30(2)23(28-22)18-13-19(25)15-20(26)14-18/h3,6,13-15,17H,4-5,7-12,16H2,1-2H3
InChIKeyYROICTPCGXZISC-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.38
Rot. Bonds4

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

2-(3,5-difluorophenyl)-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]imidazo[4,5-c]pyridine (PubChem CID 162664186) has the molecular formula C24H30F2N6 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]imidazo[4,5-c]pyridine
PubChem CID162664186
Molecular FormulaC24H30F2N6
Molecular Weight440.54 g/mol
Exact Mass440.25
IUPAC Name2-(3,5-difluorophenyl)-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]imidazo[4,5-c]pyridine
SMILESCN1CCN(CC2CCN(c3nccc4c3nc(-c3cc(F)cc(F)c3)n4C)CC2)CC1
InChIInChI=1S/C24H30F2N6/c1-29-9-11-31(12-10-29)16-17-4-7-32(8-5-17)24-22-21(3-6-27-24)30(2)23(28-22)18-13-19(25)15-20(26)14-18/h3,6,13-15,17H,4-5,7-12,16H2,1-2H3
InChIKeyYROICTPCGXZISC-UHFFFAOYSA-N
XLogP3.38
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3,5-difluorophenyl)-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]imidazo[4,5-c]pyridine (CID 162664186) is 2-(3,5-difluorophenyl)-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3,5-difluorophenyl)-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]imidazo[4,5-c]pyridine is CN1CCN(CC2CCN(c3nccc4c3nc(-c3cc(F)cc(F)c3)n4C)CC2)CC1.
What is the InChIKey of 2-(3,5-difluorophenyl)-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]imidazo[4,5-c]pyridine?
The InChIKey is YROICTPCGXZISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N6/c1-29-9-11-31(12-10-29)16-17-4-7-32(8-5-17)24-22-21(3-6-27-24)30(2)23(28-22)18-13-19(25)15-20(26)14-18/h3,6,13-15,17H,4-5,7-12,16H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenyl)-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]imidazo[4,5-c]pyridine?
2-(3,5-difluorophenyl)-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]imidazo[4,5-c]pyridine has a molecular weight of 440.54 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 162664186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).