(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C18H24N4OS — CID 173154065

IUPAC(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCC1CCCn2c(C(=O)N3CCN(Cc4ccsc4)CC3)cnc21
InChIInChI=1S/C18H24N4OS/c1-14-3-2-5-22-16(11-19-17(14)22)18(23)21-8-6-20(7-9-21)12-15-4-10-24-13-15/h4,10-11,13-14H,2-3,5-9,12H2,1H3
InChIKeyIPIRECPFYFNNOR-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.80
Rot. Bonds3

About (8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 173154065) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID173154065
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESCC1CCCn2c(C(=O)N3CCN(Cc4ccsc4)CC3)cnc21
InChIInChI=1S/C18H24N4OS/c1-14-3-2-5-22-16(11-19-17(14)22)18(23)21-8-6-20(7-9-21)12-15-4-10-24-13-15/h4,10-11,13-14H,2-3,5-9,12H2,1H3
InChIKeyIPIRECPFYFNNOR-UHFFFAOYSA-N
XLogP2.80
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10858362, Example 79
CID 122652355
12-[(3-Methylimidazol-4-yl)methyl]-6-thia-1,8,12-triazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one
CID 92567636
12-[(3-Ethylimidazol-4-yl)methyl]-6-thia-1,8,12-triazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-trien-2-one
CID 92604733
1-[2-(diethylaminomethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 97467334
N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 97468750
N,N-dimethyl-7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 97468752
N-[[8-methyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide
CID 118743367
8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118747086
7-(2-methylpropyl)-N-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 71838367
7-[(5-Isopropyl-3-thienyl)carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide
CID 56719838
N,N-dimethyl-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118745011
7-Ethyl-8-oxo-N-[(thiophen-2-YL)methyl]-5H,6H,7H,8H-imidazo[1,2-A]pyrazine-2-carboxamide
CID 132446518

Frequently Asked Questions

What is the IUPAC name of (8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 173154065) is (8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is CC1CCCn2c(C(=O)N3CCN(Cc4ccsc4)CC3)cnc21.
What is the InChIKey of (8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is IPIRECPFYFNNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-14-3-2-5-22-16(11-19-17(14)22)18(23)21-8-6-20(7-9-21)12-15-4-10-24-13-15/h4,10-11,13-14H,2-3,5-9,12H2,1H3.
What are the key properties of (8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 344.48 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 173154065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).