(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone

C17H21N3OS — CID 90615877

IUPAC(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCSC1CC2CCC(C1)N2C(=O)c1c(C)nc2ccccn12
InChIInChI=1S/C17H21N3OS/c1-11-16(19-8-4-3-5-15(19)18-11)17(21)20-12-6-7-13(20)10-14(9-12)22-2/h3-5,8,12-14H,6-7,9-10H2,1-2H3
InChIKeyRQLHXOQUPALUHG-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.14
Rot. Bonds2

About (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone

(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 90615877) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID90615877
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCSC1CC2CCC(C1)N2C(=O)c1c(C)nc2ccccn12
InChIInChI=1S/C17H21N3OS/c1-11-16(19-8-4-3-5-15(19)18-11)17(21)20-12-6-7-13(20)10-14(9-12)22-2/h3-5,8,12-14H,6-7,9-10H2,1-2H3
InChIKeyRQLHXOQUPALUHG-UHFFFAOYSA-N
XLogP3.14
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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Related Compounds

(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-quinolin-2-ylmethanone
CID 90616065
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 90654006
(2-bromophenyl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90616060
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126891685
(2-methylimidazo[1,2-a]pyridin-3-yl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331711
(2-methylimidazo[1,2-a]pyridin-3-yl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 121154699
2-(methylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 84777303
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
(4-methoxyphenyl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90615848
[4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 90589173
(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-phenylazepan-1-yl)methanone
CID 90608540
(2-methyl-2,3-dihydroindol-1-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 3186577

Frequently Asked Questions

What is the IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 90615877) is (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone is CSC1CC2CCC(C1)N2C(=O)c1c(C)nc2ccccn12.
What is the InChIKey of (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is RQLHXOQUPALUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-11-16(19-8-4-3-5-15(19)18-11)17(21)20-12-6-7-13(20)10-14(9-12)22-2/h3-5,8,12-14H,6-7,9-10H2,1-2H3.
What are the key properties of (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 315.44 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylimidazo[1,2-a]pyridin-3-yl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 90615877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).