6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine

C19H20ClFN4 — CID 87015597

IUPAC6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESFc1ccc(N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1
InChIInChI=1S/C19H20ClFN4/c20-15-2-7-19-22-17(14-25(19)12-15)13-23-8-1-9-24(11-10-23)18-5-3-16(21)4-6-18/h2-7,12,14H,1,8-11,13H2
InChIKeyUMNSMLZAFICOPQ-UHFFFAOYSA-N
MW358.85 g/mol
LogP3.84
Rot. Bonds3

About 6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine

6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 87015597) has the molecular formula C19H20ClFN4 and a molecular weight of 358.85 g/mol. Its IUPAC name is 6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID87015597
Molecular FormulaC19H20ClFN4
Molecular Weight358.85 g/mol
Exact Mass358.14
IUPAC Name6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESFc1ccc(N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1
InChIInChI=1S/C19H20ClFN4/c20-15-2-7-19-22-17(14-25(19)12-15)13-23-8-1-9-24(11-10-23)18-5-3-16(21)4-6-18/h2-7,12,14H,1,8-11,13H2
InChIKeyUMNSMLZAFICOPQ-UHFFFAOYSA-N
XLogP3.84
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

6,8-dichloro-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 19367112
2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanol
CID 63310199
6-chloro-2-[[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine
CID 133344890
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methylimidazo[1,2-a]pyridine
CID 19367156
6-chloro-2-[[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine
CID 133485271
1-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 87015648
2-chloro-1-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 166403975
4-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-5-methylpyrimidine-2-carbonitrile
CID 166278638
2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521849
6-chloro-2-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 133468945
6-chloro-2-[[4-(3-methylsulfonyl-4-nitrophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 133405075
3-(4-chlorophenyl)-5-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole
CID 87015572

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine (CID 87015597) is 6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine is Fc1ccc(N2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)cc1.
What is the InChIKey of 6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is UMNSMLZAFICOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4/c20-15-2-7-19-22-17(14-25(19)12-15)13-23-8-1-9-24(11-10-23)18-5-3-16(21)4-6-18/h2-7,12,14H,1,8-11,13H2.
What are the key properties of 6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine?
6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 358.85 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 87015597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).