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

C23H28ClFN6 — CID 162645663

IUPAC2-(3-chloro-4-fluorophenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine
SMILESCN1CCN(CC2CCN(c3nccc4[nH]c(-c5ccc(F)c(Cl)c5)nc34)CC2)CC1
InChIInChI=1S/C23H28ClFN6/c1-29-10-12-30(13-11-29)15-16-5-8-31(9-6-16)23-21-20(4-7-26-23)27-22(28-21)17-2-3-19(25)18(24)14-17/h2-4,7,14,16H,5-6,8-13,15H2,1H3,(H,27,28)
InChIKeyLJHWZXRLWWKKSF-UHFFFAOYSA-N
MW442.97 g/mol
LogP3.88
Rot. Bonds4

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

2-(3-chloro-4-fluorophenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 162645663) has the molecular formula C23H28ClFN6 and a molecular weight of 442.97 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID162645663
Molecular FormulaC23H28ClFN6
Molecular Weight442.97 g/mol
Exact Mass442.20
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine
SMILESCN1CCN(CC2CCN(c3nccc4[nH]c(-c5ccc(F)c(Cl)c5)nc34)CC2)CC1
InChIInChI=1S/C23H28ClFN6/c1-29-10-12-30(13-11-29)15-16-5-8-31(9-6-16)23-21-20(4-7-26-23)27-22(28-21)17-2-3-19(25)18(24)14-17/h2-4,7,14,16H,5-6,8-13,15H2,1H3,(H,27,28)
InChIKeyLJHWZXRLWWKKSF-UHFFFAOYSA-N
XLogP3.88
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine (CID 162645663) is 2-(3-chloro-4-fluorophenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine is CN1CCN(CC2CCN(c3nccc4[nH]c(-c5ccc(F)c(Cl)c5)nc34)CC2)CC1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is LJHWZXRLWWKKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClFN6/c1-29-10-12-30(13-11-29)15-16-5-8-31(9-6-16)23-21-20(4-7-26-23)27-22(28-21)17-2-3-19(25)18(24)14-17/h2-4,7,14,16H,5-6,8-13,15H2,1H3,(H,27,28).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine?
2-(3-chloro-4-fluorophenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 442.97 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 162645663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).