2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone

C19H26N4OS — CID 138806168

IUPAC2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone
SMILESCc1cccn2c(CC(=O)N3CCCN(C4CCSC4)CC3)cnc12
InChIInChI=1S/C19H26N4OS/c1-15-4-2-8-23-17(13-20-19(15)23)12-18(24)22-7-3-6-21(9-10-22)16-5-11-25-14-16/h2,4,8,13,16H,3,5-7,9-12,14H2,1H3
InChIKeyYUNRPDRTRQBIFJ-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.23
Rot. Bonds3

About 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone

2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone (PubChem CID 138806168) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone
PubChem CID138806168
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone
SMILESCc1cccn2c(CC(=O)N3CCCN(C4CCSC4)CC3)cnc12
InChIInChI=1S/C19H26N4OS/c1-15-4-2-8-23-17(13-20-19(15)23)12-18(24)22-7-3-6-21(9-10-22)16-5-11-25-14-16/h2,4,8,13,16H,3,5-7,9-12,14H2,1H3
InChIKeyYUNRPDRTRQBIFJ-UHFFFAOYSA-N
XLogP2.23
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone (CID 138806168) is 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone is Cc1cccn2c(CC(=O)N3CCCN(C4CCSC4)CC3)cnc12.
What is the InChIKey of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is YUNRPDRTRQBIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-15-4-2-8-23-17(13-20-19(15)23)12-18(24)22-7-3-6-21(9-10-22)16-5-11-25-14-16/h2,4,8,13,16H,3,5-7,9-12,14H2,1H3.
What are the key properties of 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone?
2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 358.51 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-1-[4-(thiolan-3-yl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 138806168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).