6-chloro-2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine

C19H20ClN3O2S — CID 3823159

IUPAC6-chloro-2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine
SMILESCC1CCCN(S(=O)(=O)c2cccc(-c3cn4cc(Cl)ccc4n3)c2)C1
InChIInChI=1S/C19H20ClN3O2S/c1-14-4-3-9-23(11-14)26(24,25)17-6-2-5-15(10-17)18-13-22-12-16(20)7-8-19(22)21-18/h2,5-8,10,12-14H,3-4,9,11H2,1H3
InChIKeyOVJJQLQBQUGJQL-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.08
Rot. Bonds3

About 6-chloro-2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine

6-chloro-2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine (PubChem CID 3823159) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 6-chloro-2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine
PubChem CID3823159
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name6-chloro-2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine
SMILESCC1CCCN(S(=O)(=O)c2cccc(-c3cn4cc(Cl)ccc4n3)c2)C1
InChIInChI=1S/C19H20ClN3O2S/c1-14-4-3-9-23(11-14)26(24,25)17-6-2-5-15(10-17)18-13-22-12-16(20)7-8-19(22)21-18/h2,5-8,10,12-14H,3-4,9,11H2,1H3
InChIKeyOVJJQLQBQUGJQL-UHFFFAOYSA-N
XLogP4.08
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-2-[3-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]imidazo[1,2-a]pyridine
CID 7903354
2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyrimidine
CID 664590
(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
3-(3-methylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43235652
N-[(2-chlorophenyl)methylideneamino]-4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-amine
CID 4701479
8-methyl-2-(3-pyrrolidin-1-ylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 935997
(3S)-3-methyl-1-(4-phenylphenyl)sulfonylpiperidine
CID 40714493
4-[[[4-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 4701593
2-chloro-5-(3-methylpiperidin-1-yl)sulfonylaniline
CID 43095930
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
(3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine
CID 27210471
2-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]amino]-1-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110829438

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine (CID 3823159) is 6-chloro-2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine is CC1CCCN(S(=O)(=O)c2cccc(-c3cn4cc(Cl)ccc4n3)c2)C1.
What is the InChIKey of 6-chloro-2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine?
The InChIKey is OVJJQLQBQUGJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c1-14-4-3-9-23(11-14)26(24,25)17-6-2-5-15(10-17)18-13-22-12-16(20)7-8-19(22)21-18/h2,5-8,10,12-14H,3-4,9,11H2,1H3.
What are the key properties of 6-chloro-2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine?
6-chloro-2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine has a molecular weight of 389.91 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 3823159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).