6-[1-[1-(cyclopropylmethyl)azepan-4-yl]piperidin-4-yl]-8-fluoro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine

C29H37FN4S — CID 162735669

IUPAC6-[1-[1-(cyclopropylmethyl)azepan-4-yl]piperidin-4-yl]-8-fluoro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine
SMILESCSc1ccc(-c2cn3cc(C4CCN(C5CCCN(CC6CC6)CC5)CC4)cc(F)c3n2)cc1
InChIInChI=1S/C29H37FN4S/c1-35-26-8-6-23(7-9-26)28-20-34-19-24(17-27(30)29(34)31-28)22-10-15-33(16-11-22)25-3-2-13-32(14-12-25)18-21-4-5-21/h6-9,17,19-22,25H,2-5,10-16,18H2,1H3
InChIKeyHHBIEGZECQEEEB-UHFFFAOYSA-N
MW492.71 g/mol
LogP6.31
Rot. Bonds6

About 6-[1-[1-(cyclopropylmethyl)azepan-4-yl]piperidin-4-yl]-8-fluoro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine

6-[1-[1-(cyclopropylmethyl)azepan-4-yl]piperidin-4-yl]-8-fluoro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine (PubChem CID 162735669) has the molecular formula C29H37FN4S and a molecular weight of 492.71 g/mol. Its IUPAC name is 6-[1-[1-(cyclopropylmethyl)azepan-4-yl]piperidin-4-yl]-8-fluoro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-[1-[1-(cyclopropylmethyl)azepan-4-yl]piperidin-4-yl]-8-fluoro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine
PubChem CID162735669
Molecular FormulaC29H37FN4S
Molecular Weight492.71 g/mol
Exact Mass492.27
IUPAC Name6-[1-[1-(cyclopropylmethyl)azepan-4-yl]piperidin-4-yl]-8-fluoro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine
SMILESCSc1ccc(-c2cn3cc(C4CCN(C5CCCN(CC6CC6)CC5)CC4)cc(F)c3n2)cc1
InChIInChI=1S/C29H37FN4S/c1-35-26-8-6-23(7-9-26)28-20-34-19-24(17-27(30)29(34)31-28)22-10-15-33(16-11-22)25-3-2-13-32(14-12-25)18-21-4-5-21/h6-9,17,19-22,25H,2-5,10-16,18H2,1H3
InChIKeyHHBIEGZECQEEEB-UHFFFAOYSA-N
XLogP6.31
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.71
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[1-[1-(cyclopropylmethyl)azepan-4-yl]piperidin-4-yl]-8-fluoro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[1-(2-ethyl-6-methyl-1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-8-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine
CID 166980546
6-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170593629
2-(chloromethyl)-6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridine
CID 139487322
7-fluoro-1-methyl-5-[1-[8-(2-methylpropyl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]-2-(4-methylsulfanylphenyl)benzimidazole
CID 162735811
6-[1-(1-cyclopropylpiperidin-4-yl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
CID 162735603
ethane;4-[2-methoxy-5-(4-methylsulfanylphenyl)phenyl]-1-(oxan-4-yl)piperidine
CID 143235233
1-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-4-amine
CID 59410340
1-(1-benzylpiperidin-4-yl)-4-[(4-methylsulfanylphenyl)methyl]piperazine;oxalic acid
CID 90483967
2,6-dimethyl-4-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]morpholine
CID 2910746
6-(4-methylsulfanylphenyl)-2-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]pyridazin-3-one
CID 96557622
1-cyclopentyl-4-(4-methylphenyl)piperidine
CID 118146215
1-cyclobutyl-4-(4-methylphenyl)piperidine
CID 118136109

Frequently Asked Questions

What is the IUPAC name of 6-[1-[1-(cyclopropylmethyl)azepan-4-yl]piperidin-4-yl]-8-fluoro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-[1-[1-(cyclopropylmethyl)azepan-4-yl]piperidin-4-yl]-8-fluoro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine (CID 162735669) is 6-[1-[1-(cyclopropylmethyl)azepan-4-yl]piperidin-4-yl]-8-fluoro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-[1-[1-(cyclopropylmethyl)azepan-4-yl]piperidin-4-yl]-8-fluoro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-[1-[1-(cyclopropylmethyl)azepan-4-yl]piperidin-4-yl]-8-fluoro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine is CSc1ccc(-c2cn3cc(C4CCN(C5CCCN(CC6CC6)CC5)CC4)cc(F)c3n2)cc1.
What is the InChIKey of 6-[1-[1-(cyclopropylmethyl)azepan-4-yl]piperidin-4-yl]-8-fluoro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is HHBIEGZECQEEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN4S/c1-35-26-8-6-23(7-9-26)28-20-34-19-24(17-27(30)29(34)31-28)22-10-15-33(16-11-22)25-3-2-13-32(14-12-25)18-21-4-5-21/h6-9,17,19-22,25H,2-5,10-16,18H2,1H3.
What are the key properties of 6-[1-[1-(cyclopropylmethyl)azepan-4-yl]piperidin-4-yl]-8-fluoro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine?
6-[1-[1-(cyclopropylmethyl)azepan-4-yl]piperidin-4-yl]-8-fluoro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 492.71 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[1-(cyclopropylmethyl)azepan-4-yl]piperidin-4-yl]-8-fluoro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 162735669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).