2-ethyl-8-N-[[1-(4-methylsulfanylphenyl)pyrazol-3-yl]methyl]-3-N-propan-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

C25H28N6O2S — CID 143717171

IUPAC2-ethyl-8-N-[[1-(4-methylsulfanylphenyl)pyrazol-3-yl]methyl]-3-N-propan-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCCc1nc2c(C(=O)NCc3ccn(-c4ccc(SC)cc4)n3)cccn2c1C(=O)NC(C)C
InChIInChI=1S/C25H28N6O2S/c1-5-21-22(25(33)27-16(2)3)30-13-6-7-20(23(30)28-21)24(32)26-15-17-12-14-31(29-17)18-8-10-19(34-4)11-9-18/h6-14,16H,5,15H2,1-4H3,(H,26,32)(H,27,33)
InChIKeyODTMNSLMESZQRI-UHFFFAOYSA-N
MW476.61 g/mol
LogP3.87
Rot. Bonds8

About 2-ethyl-8-N-[[1-(4-methylsulfanylphenyl)pyrazol-3-yl]methyl]-3-N-propan-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide

2-ethyl-8-N-[[1-(4-methylsulfanylphenyl)pyrazol-3-yl]methyl]-3-N-propan-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 143717171) has the molecular formula C25H28N6O2S and a molecular weight of 476.61 g/mol. Its IUPAC name is 2-ethyl-8-N-[[1-(4-methylsulfanylphenyl)pyrazol-3-yl]methyl]-3-N-propan-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name2-ethyl-8-N-[[1-(4-methylsulfanylphenyl)pyrazol-3-yl]methyl]-3-N-propan-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID143717171
Molecular FormulaC25H28N6O2S
Molecular Weight476.61 g/mol
Exact Mass476.20
IUPAC Name2-ethyl-8-N-[[1-(4-methylsulfanylphenyl)pyrazol-3-yl]methyl]-3-N-propan-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCCc1nc2c(C(=O)NCc3ccn(-c4ccc(SC)cc4)n3)cccn2c1C(=O)NC(C)C
InChIInChI=1S/C25H28N6O2S/c1-5-21-22(25(33)27-16(2)3)30-13-6-7-20(23(30)28-21)24(32)26-15-17-12-14-31(29-17)18-8-10-19(34-4)11-9-18/h6-14,16H,5,15H2,1-4H3,(H,26,32)(H,27,33)
InChIKeyODTMNSLMESZQRI-UHFFFAOYSA-N
XLogP3.87
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-N-[[1-(4-methylsulfanylphenyl)pyrazol-3-yl]methyl]-3-N-propan-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 2-ethyl-8-N-[[1-(4-methylsulfanylphenyl)pyrazol-3-yl]methyl]-3-N-propan-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 143717171) is 2-ethyl-8-N-[[1-(4-methylsulfanylphenyl)pyrazol-3-yl]methyl]-3-N-propan-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 2-ethyl-8-N-[[1-(4-methylsulfanylphenyl)pyrazol-3-yl]methyl]-3-N-propan-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 2-ethyl-8-N-[[1-(4-methylsulfanylphenyl)pyrazol-3-yl]methyl]-3-N-propan-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is CCc1nc2c(C(=O)NCc3ccn(-c4ccc(SC)cc4)n3)cccn2c1C(=O)NC(C)C.
What is the InChIKey of 2-ethyl-8-N-[[1-(4-methylsulfanylphenyl)pyrazol-3-yl]methyl]-3-N-propan-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is ODTMNSLMESZQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2S/c1-5-21-22(25(33)27-16(2)3)30-13-6-7-20(23(30)28-21)24(32)26-15-17-12-14-31(29-17)18-8-10-19(34-4)11-9-18/h6-14,16H,5,15H2,1-4H3,(H,26,32)(H,27,33).
What are the key properties of 2-ethyl-8-N-[[1-(4-methylsulfanylphenyl)pyrazol-3-yl]methyl]-3-N-propan-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide?
2-ethyl-8-N-[[1-(4-methylsulfanylphenyl)pyrazol-3-yl]methyl]-3-N-propan-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 476.61 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-N-[[1-(4-methylsulfanylphenyl)pyrazol-3-yl]methyl]-3-N-propan-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 143717171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).