8-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide

C24H30N6O2S — CID 143716882

IUPAC8-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCN1CCCC(CN2CCN(C(=O)c3cccn4c(C(N)=O)c(-c5ccsc5)nc34)CC2)C1
InChIInChI=1S/C24H30N6O2S/c1-27-7-2-4-17(14-27)15-28-9-11-29(12-10-28)24(32)19-5-3-8-30-21(22(25)31)20(26-23(19)30)18-6-13-33-16-18/h3,5-6,8,13,16-17H,2,4,7,9-12,14-15H2,1H3,(H2,25,31)
InChIKeyCYHYABMRLKQGFQ-UHFFFAOYSA-N
MW466.61 g/mol
LogP2.26
Rot. Bonds5

About 8-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide

8-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 143716882) has the molecular formula C24H30N6O2S and a molecular weight of 466.61 g/mol. Its IUPAC name is 8-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID143716882
Molecular FormulaC24H30N6O2S
Molecular Weight466.61 g/mol
Exact Mass466.22
IUPAC Name8-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCN1CCCC(CN2CCN(C(=O)c3cccn4c(C(N)=O)c(-c5ccsc5)nc34)CC2)C1
InChIInChI=1S/C24H30N6O2S/c1-27-7-2-4-17(14-27)15-28-9-11-29(12-10-28)24(32)19-5-3-8-30-21(22(25)31)20(26-23(19)30)18-6-13-33-16-18/h3,5-6,8,13,16-17H,2,4,7,9-12,14-15H2,1H3,(H2,25,31)
InChIKeyCYHYABMRLKQGFQ-UHFFFAOYSA-N
XLogP2.26
TPSA87.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 143716882) is 8-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide is CN1CCCC(CN2CCN(C(=O)c3cccn4c(C(N)=O)c(-c5ccsc5)nc34)CC2)C1.
What is the InChIKey of 8-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CYHYABMRLKQGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2S/c1-27-7-2-4-17(14-27)15-28-9-11-29(12-10-28)24(32)19-5-3-8-30-21(22(25)31)20(26-23(19)30)18-6-13-33-16-18/h3,5-6,8,13,16-17H,2,4,7,9-12,14-15H2,1H3,(H2,25,31).
What are the key properties of 8-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide?
8-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 466.61 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[(1-methylpiperidin-3-yl)methyl]piperazine-1-carbonyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 143716882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).