N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide

C20H20FN3OS — CID 86839063

IUPACN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
SMILESCc1ccc2nc(CSCC(=O)NC3CCc4c(F)cccc43)cn2c1
InChIInChI=1S/C20H20FN3OS/c1-13-5-8-19-22-14(10-24(19)9-13)11-26-12-20(25)23-18-7-6-15-16(18)3-2-4-17(15)21/h2-5,8-10,18H,6-7,11-12H2,1H3,(H,23,25)
InChIKeyLUCZRNBBCUWOQI-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.82
Rot. Bonds5

About N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide

N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide (PubChem CID 86839063) has the molecular formula C20H20FN3OS and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
PubChem CID86839063
Molecular FormulaC20H20FN3OS
Molecular Weight369.47 g/mol
Exact Mass369.13
IUPAC NameN-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
SMILESCc1ccc2nc(CSCC(=O)NC3CCc4c(F)cccc43)cn2c1
InChIInChI=1S/C20H20FN3OS/c1-13-5-8-19-22-14(10-24(19)9-13)11-26-12-20(25)23-18-7-6-15-16(18)3-2-4-17(15)21/h2-5,8-10,18H,6-7,11-12H2,1H3,(H,23,25)
InChIKeyLUCZRNBBCUWOQI-UHFFFAOYSA-N
XLogP3.82
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide (CID 86839063) is N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide is Cc1ccc2nc(CSCC(=O)NC3CCc4c(F)cccc43)cn2c1.
What is the InChIKey of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
The InChIKey is LUCZRNBBCUWOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-13-5-8-19-22-14(10-24(19)9-13)11-26-12-20(25)23-18-7-6-15-16(18)3-2-4-17(15)21/h2-5,8-10,18H,6-7,11-12H2,1H3,(H,23,25).
What are the key properties of N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide?
N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 86839063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).