2-[[(3R,4R)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine

C20H22ClFN4 — CID 51357935

IUPAC2-[[(3R,4R)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
SMILESC[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(Cl)cc1F
InChIInChI=1S/C20H22ClFN4/c1-13-11-26(9-7-15(13)16-6-5-14(21)10-17(16)22)12-19-24-20-18(25(19)2)4-3-8-23-20/h3-6,8,10,13,15H,7,9,11-12H2,1-2H3/t13-,15+/m0/s1
InChIKeyHUDWYYYFRVUKIA-DZGCQCFKSA-N
MW372.88 g/mol
LogP4.39
Rot. Bonds3

About 2-[[(3R,4R)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine

2-[[(3R,4R)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine (PubChem CID 51357935) has the molecular formula C20H22ClFN4 and a molecular weight of 372.88 g/mol. Its IUPAC name is 2-[[(3R,4R)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[(3R,4R)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
PubChem CID51357935
Molecular FormulaC20H22ClFN4
Molecular Weight372.88 g/mol
Exact Mass372.15
IUPAC Name2-[[(3R,4R)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
SMILESC[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(Cl)cc1F
InChIInChI=1S/C20H22ClFN4/c1-13-11-26(9-7-15(13)16-6-5-14(21)10-17(16)22)12-19-24-20-18(25(19)2)4-3-8-23-20/h3-6,8,10,13,15H,7,9,11-12H2,1-2H3/t13-,15+/m0/s1
InChIKeyHUDWYYYFRVUKIA-DZGCQCFKSA-N
XLogP4.39
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4R)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[[(3R,4R)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine (CID 51357935) is 2-[[(3R,4R)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[(3R,4R)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[(3R,4R)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine is C[C@H]1CN(Cc2nc3ncccc3n2C)CC[C@H]1c1ccc(Cl)cc1F.
What is the InChIKey of 2-[[(3R,4R)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
The InChIKey is HUDWYYYFRVUKIA-DZGCQCFKSA-N. The full InChI is InChI=1S/C20H22ClFN4/c1-13-11-26(9-7-15(13)16-6-5-14(21)10-17(16)22)12-19-24-20-18(25(19)2)4-3-8-23-20/h3-6,8,10,13,15H,7,9,11-12H2,1-2H3/t13-,15+/m0/s1.
What are the key properties of 2-[[(3R,4R)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine?
2-[[(3R,4R)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine has a molecular weight of 372.88 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4R)-4-(4-chloro-2-fluorophenyl)-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 51357935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).