(3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone

C20H22N4OS — CID 119380893

IUPAC(3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
SMILESNC1CCCN(C(=O)c2ccccc2SCc2cn3ccccc3n2)C1
InChIInChI=1S/C20H22N4OS/c21-15-6-5-11-24(12-15)20(25)17-7-1-2-8-18(17)26-14-16-13-23-10-4-3-9-19(23)22-16/h1-4,7-10,13,15H,5-6,11-12,14,21H2
InChIKeyYWKZXOLQXRCFHU-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.19
Rot. Bonds4

About (3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone

(3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone (PubChem CID 119380893) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
PubChem CID119380893
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC Name(3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
SMILESNC1CCCN(C(=O)c2ccccc2SCc2cn3ccccc3n2)C1
InChIInChI=1S/C20H22N4OS/c21-15-6-5-11-24(12-15)20(25)17-7-1-2-8-18(17)26-14-16-13-23-10-4-3-9-19(23)22-16/h1-4,7-10,13,15H,5-6,11-12,14,21H2
InChIKeyYWKZXOLQXRCFHU-UHFFFAOYSA-N
XLogP3.19
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119412664
[1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55616185
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 25406074
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 134048827
1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119417819
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 31405038
1-[4-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564297
(3-aminopiperidin-1-yl)-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone;hydrochloride
CID 119379161
N-(3,5-dichlorophenyl)-2-[4-[1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]pyrrolidin-3-yl]triazol-1-yl]acetamide
CID 167784454
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 154860046
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide
CID 154858648
(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine
CID 129366305

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone (CID 119380893) is (3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone is NC1CCCN(C(=O)c2ccccc2SCc2cn3ccccc3n2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone?
The InChIKey is YWKZXOLQXRCFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c21-15-6-5-11-24(12-15)20(25)17-7-1-2-8-18(17)26-14-16-13-23-10-4-3-9-19(23)22-16/h1-4,7-10,13,15H,5-6,11-12,14,21H2.
What are the key properties of (3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone?
(3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone has a molecular weight of 366.49 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 119380893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).