3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-methyl-8-N-(2-pyridin-4-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C25H27N5O3S — CID 25096514

IUPAC3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-methyl-8-N-(2-pyridin-4-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC[C@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)N(C)CCc3ccncc3)cccn12
InChIInChI=1S/C25H27N5O3S/c1-3-19(15-31)27-24(32)22-21(18-9-14-34-16-18)28-23-20(5-4-12-30(22)23)25(33)29(2)13-8-17-6-10-26-11-7-17/h4-7,9-12,14,16,19,31H,3,8,13,15H2,1-2H3,(H,27,32)/t19-/m1/s1
InChIKeyWLZIBLFVMMDNFS-LJQANCHMSA-N
MW477.59 g/mol
LogP3.27
Rot. Bonds9

About 3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-methyl-8-N-(2-pyridin-4-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-methyl-8-N-(2-pyridin-4-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 25096514) has the molecular formula C25H27N5O3S and a molecular weight of 477.59 g/mol. Its IUPAC name is 3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-methyl-8-N-(2-pyridin-4-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-methyl-8-N-(2-pyridin-4-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID25096514
Molecular FormulaC25H27N5O3S
Molecular Weight477.59 g/mol
Exact Mass477.18
IUPAC Name3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-methyl-8-N-(2-pyridin-4-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC[C@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)N(C)CCc3ccncc3)cccn12
InChIInChI=1S/C25H27N5O3S/c1-3-19(15-31)27-24(32)22-21(18-9-14-34-16-18)28-23-20(5-4-12-30(22)23)25(33)29(2)13-8-17-6-10-26-11-7-17/h4-7,9-12,14,16,19,31H,3,8,13,15H2,1-2H3,(H,27,32)/t19-/m1/s1
InChIKeyWLZIBLFVMMDNFS-LJQANCHMSA-N
XLogP3.27
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-methyl-8-N-(2-pyridin-4-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide with MolForge

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Related Compounds

N-[(2S)-1-hydroxybutan-2-yl]-8-(3-pyridin-4-ylpyrrolidine-1-carbonyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 59588447
3-N-[(2S)-1-hydroxybutan-2-yl]-8-N-[2-(5-methylsulfonylthiophen-2-yl)ethyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588441
3-N-[(2S)-1-hydroxybutan-2-yl]-8-N-[2-[6-(methanesulfonamido)-3-pyridinyl]ethyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588384
3-N-[(2S)-1-hydroxybutan-2-yl]-8-N-[(4-indazol-1-ylphenyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588694
2-[[3-[(1-hydroxy-4-methylpentan-2-yl)carbamoyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-8-carbonyl]amino]-2-(4-hydroxyphenyl)acetic acid
CID 143716848
3-N-[(2R)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-8-N-[(4-methylsulfonylphenyl)methyl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588448
8-N-[[6-(cyclopropylamino)-3-pyridinyl]methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588760
8-N-[(2-amino-[1,3]thiazolo[4,5-b]pyridin-6-yl)methyl]-3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588491
butan-1-ol;8-N-(2-pyridin-3-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 143716914
8-N-[(2-amino-1,3-benzothiazol-6-yl)methyl]-3-N-[(2S)-1-hydroxypropan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 25095488
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 25095226
8-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 25095752

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-methyl-8-N-(2-pyridin-4-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-methyl-8-N-(2-pyridin-4-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 25096514) is 3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-methyl-8-N-(2-pyridin-4-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-methyl-8-N-(2-pyridin-4-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-methyl-8-N-(2-pyridin-4-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is CC[C@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)N(C)CCc3ccncc3)cccn12.
What is the InChIKey of 3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-methyl-8-N-(2-pyridin-4-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is WLZIBLFVMMDNFS-LJQANCHMSA-N. The full InChI is InChI=1S/C25H27N5O3S/c1-3-19(15-31)27-24(32)22-21(18-9-14-34-16-18)28-23-20(5-4-12-30(22)23)25(33)29(2)13-8-17-6-10-26-11-7-17/h4-7,9-12,14,16,19,31H,3,8,13,15H2,1-2H3,(H,27,32)/t19-/m1/s1.
What are the key properties of 3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-methyl-8-N-(2-pyridin-4-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-methyl-8-N-(2-pyridin-4-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 477.59 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2R)-1-hydroxybutan-2-yl]-8-N-methyl-8-N-(2-pyridin-4-ylethyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 25096514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).