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

C19H20N4OS — CID 119412664

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
SMILESN[C@@H]1CCN(C(=O)c2ccccc2SCc2cn3ccccc3n2)C1
InChIInChI=1S/C19H20N4OS/c20-14-8-10-23(11-14)19(24)16-5-1-2-6-17(16)25-13-15-12-22-9-4-3-7-18(22)21-15/h1-7,9,12,14H,8,10-11,13,20H2/t14-/m1/s1
InChIKeyJTFRLALWNUJADB-CQSZACIVSA-N
MW352.46 g/mol
LogP2.80
Rot. Bonds4

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

[(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone (PubChem CID 119412664) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
PubChem CID119412664
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
SMILESN[C@@H]1CCN(C(=O)c2ccccc2SCc2cn3ccccc3n2)C1
InChIInChI=1S/C19H20N4OS/c20-14-8-10-23(11-14)19(24)16-5-1-2-6-17(16)25-13-15-12-22-9-4-3-7-18(22)21-15/h1-7,9,12,14H,8,10-11,13,20H2/t14-/m1/s1
InChIKeyJTFRLALWNUJADB-CQSZACIVSA-N
XLogP2.80
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119380893
[1-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55616185
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 134048827
[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 31405038
1,4-diazepan-1-yl-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 119417819
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone
CID 25406074
1-[4-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55564297
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
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 37288276
N-(2-amino-2-methylpropyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119629702

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone (CID 119412664) is [(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone is N[C@@H]1CCN(C(=O)c2ccccc2SCc2cn3ccccc3n2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone?
The InChIKey is JTFRLALWNUJADB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N4OS/c20-14-8-10-23(11-14)19(24)16-5-1-2-6-17(16)25-13-15-12-22-9-4-3-7-18(22)21-15/h1-7,9,12,14H,8,10-11,13,20H2/t14-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone has a molecular weight of 352.46 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phenyl]methanone is sourced from PubChem (CID 119412664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).