(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone

C20H20FN3OS — CID 72904763

IUPAC(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone
SMILESCc1cccc(SC2CCN(C(=O)c3nc4ccccn4c3F)CC2)c1
InChIInChI=1S/C20H20FN3OS/c1-14-5-4-6-16(13-14)26-15-8-11-23(12-9-15)20(25)18-19(21)24-10-3-2-7-17(24)22-18/h2-7,10,13,15H,8-9,11-12H2,1H3
InChIKeyXZKUQEAQOBDLDY-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.18
Rot. Bonds3

About (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone

(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone (PubChem CID 72904763) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone
PubChem CID72904763
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC Name(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone
SMILESCc1cccc(SC2CCN(C(=O)c3nc4ccccn4c3F)CC2)c1
InChIInChI=1S/C20H20FN3OS/c1-14-5-4-6-16(13-14)26-15-8-11-23(12-9-15)20(25)18-19(21)24-10-3-2-7-17(24)22-18/h2-7,10,13,15H,8-9,11-12H2,1H3
InChIKeyXZKUQEAQOBDLDY-UHFFFAOYSA-N
XLogP4.18
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 70730374
4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]-1H-imidazole-5-carboxylic acid
CID 77096850
[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 70776396
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 119066180
2-methyl-6-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]pyran-4-one
CID 118788868
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 72922602
6-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 74244352
1-methyl-4-(3-methylphenyl)sulfanylpiperidine
CID 142206872
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 77092201
1-methyl-4-[4-(3-methylphenyl)sulfanylpiperidine-1-carbonyl]imidazolidin-2-one
CID 70716112
1-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118787851
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-(3-methylphenyl)sulfanylpiperidine-1-carboxamide
CID 119063341

Frequently Asked Questions

What is the IUPAC name of (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone?
The IUPAC name of (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone (CID 72904763) is (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone?
The canonical SMILES for (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone is Cc1cccc(SC2CCN(C(=O)c3nc4ccccn4c3F)CC2)c1.
What is the InChIKey of (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone?
The InChIKey is XZKUQEAQOBDLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-14-5-4-6-16(13-14)26-15-8-11-23(12-9-15)20(25)18-19(21)24-10-3-2-7-17(24)22-18/h2-7,10,13,15H,8-9,11-12H2,1H3.
What are the key properties of (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone?
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]methanone is sourced from PubChem (CID 72904763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).