butan-1-ol;8-N-(2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C24H27N5O3S — CID 143716914

IUPACbutan-1-ol;8-N-(2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCCCCO.NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCCc3cccnc3)cccn12
InChIInChI=1S/C20H17N5O2S.C4H10O/c21-18(26)17-16(14-6-10-28-12-14)24-19-15(4-2-9-25(17)19)20(27)23-8-5-13-3-1-7-22-11-13;1-2-3-4-5/h1-4,6-7,9-12H,5,8H2,(H2,21,26)(H,23,27);5H,2-4H2,1H3
InChIKeyYBHGCBYISCZLLI-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.31
Rot. Bonds8

About butan-1-ol;8-N-(2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

butan-1-ol;8-N-(2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 143716914) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is butan-1-ol;8-N-(2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Namebutan-1-ol;8-N-(2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID143716914
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC Namebutan-1-ol;8-N-(2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCCCCO.NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCCc3cccnc3)cccn12
InChIInChI=1S/C20H17N5O2S.C4H10O/c21-18(26)17-16(14-6-10-28-12-14)24-19-15(4-2-9-25(17)19)20(27)23-8-5-13-3-1-7-22-11-13;1-2-3-4-5/h1-4,6-7,9-12H,5,8H2,(H2,21,26)(H,23,27);5H,2-4H2,1H3
InChIKeyYBHGCBYISCZLLI-UHFFFAOYSA-N
XLogP3.31
TPSA122.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;8-N-(2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of butan-1-ol;8-N-(2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 143716914) is butan-1-ol;8-N-(2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for butan-1-ol;8-N-(2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for butan-1-ol;8-N-(2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is CCCCO.NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCCc3cccnc3)cccn12.
What is the InChIKey of butan-1-ol;8-N-(2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is YBHGCBYISCZLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2S.C4H10O/c21-18(26)17-16(14-6-10-28-12-14)24-19-15(4-2-9-25(17)19)20(27)23-8-5-13-3-1-7-22-11-13;1-2-3-4-5/h1-4,6-7,9-12H,5,8H2,(H2,21,26)(H,23,27);5H,2-4H2,1H3.
What are the key properties of butan-1-ol;8-N-(2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
butan-1-ol;8-N-(2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 465.58 g/mol, XLogP of 3.31, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;8-N-(2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 143716914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).