8-N-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C25H30N4O2S — CID 143716753

IUPAC8-N-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC1CC2CC(C)CC(CNC(=O)c3cccn4c(C(N)=O)c(-c5ccsc5)nc34)(C1)C2
InChIInChI=1S/C25H30N4O2S/c1-15-8-17-9-16(2)11-25(10-15,12-17)14-27-24(31)19-4-3-6-29-21(22(26)30)20(28-23(19)29)18-5-7-32-13-18/h3-7,13,15-17H,8-12,14H2,1-2H3,(H2,26,30)(H,27,31)
InChIKeyMKSVQYOTHISWCU-UHFFFAOYSA-N
MW450.61 g/mol
LogP4.74
Rot. Bonds5

About 8-N-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

8-N-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 143716753) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is 8-N-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name8-N-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID143716753
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC Name8-N-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC1CC2CC(C)CC(CNC(=O)c3cccn4c(C(N)=O)c(-c5ccsc5)nc34)(C1)C2
InChIInChI=1S/C25H30N4O2S/c1-15-8-17-9-16(2)11-25(10-15,12-17)14-27-24(31)19-4-3-6-29-21(22(26)30)20(28-23(19)29)18-5-7-32-13-18/h3-7,13,15-17H,8-12,14H2,1-2H3,(H2,26,30)(H,27,31)
InChIKeyMKSVQYOTHISWCU-UHFFFAOYSA-N
XLogP4.74
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-N-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 8-N-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 143716753) is 8-N-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 8-N-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 8-N-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is CC1CC2CC(C)CC(CNC(=O)c3cccn4c(C(N)=O)c(-c5ccsc5)nc34)(C1)C2.
What is the InChIKey of 8-N-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is MKSVQYOTHISWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-15-8-17-9-16(2)11-25(10-15,12-17)14-27-24(31)19-4-3-6-29-21(22(26)30)20(28-23(19)29)18-5-7-32-13-18/h3-7,13,15-17H,8-12,14H2,1-2H3,(H2,26,30)(H,27,31).
What are the key properties of 8-N-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
8-N-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 450.61 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 143716753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).