[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

C21H24N4OS — CID 162661190

IUPAC[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESCc1cc(C2CCCN(C(=O)c3cc4c(s3)CCCC4)C2)n2ccnc2n1
InChIInChI=1S/C21H24N4OS/c1-14-11-17(25-10-8-22-21(25)23-14)16-6-4-9-24(13-16)20(26)19-12-15-5-2-3-7-18(15)27-19/h8,10-12,16H,2-7,9,13H2,1H3
InChIKeyGZMFAWQRCBOGKH-UHFFFAOYSA-N
MW380.52 g/mol
LogP4.00
Rot. Bonds2

About [3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (PubChem CID 162661190) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is [3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
PubChem CID162661190
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
SMILESCc1cc(C2CCCN(C(=O)c3cc4c(s3)CCCC4)C2)n2ccnc2n1
InChIInChI=1S/C21H24N4OS/c1-14-11-17(25-10-8-22-21(25)23-14)16-6-4-9-24(13-16)20(26)19-12-15-5-2-3-7-18(15)27-19/h8,10-12,16H,2-7,9,13H2,1H3
InChIKeyGZMFAWQRCBOGKH-UHFFFAOYSA-N
XLogP4.00
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The IUPAC name of [3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone (CID 162661190) is [3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone.
What is the SMILES notation for [3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The canonical SMILES for [3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is Cc1cc(C2CCCN(C(=O)c3cc4c(s3)CCCC4)C2)n2ccnc2n1.
What is the InChIKey of [3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
The InChIKey is GZMFAWQRCBOGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-14-11-17(25-10-8-22-21(25)23-14)16-6-4-9-24(13-16)20(26)19-12-15-5-2-3-7-18(15)27-19/h8,10-12,16H,2-7,9,13H2,1H3.
What are the key properties of [3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone?
[3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone has a molecular weight of 380.52 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(7-methylimidazo[1,2-a]pyrimidin-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone is sourced from PubChem (CID 162661190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).