3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide

C30H29F3N6O3S — CID 59588671

IUPAC3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3cnn(-c4cccc(C(F)(F)F)c4)c3)cccn12
InChIInChI=1S/C30H29F3N6O3S/c1-18(2)11-22(16-40)36-29(42)26-25(20-8-10-43-17-20)37-27-24(7-4-9-38(26)27)28(41)34-13-19-14-35-39(15-19)23-6-3-5-21(12-23)30(31,32)33/h3-10,12,14-15,17-18,22,40H,11,13,16H2,1-2H3,(H,34,41)(H,36,42)/t22-/m0/s1
InChIKeyPCHSEDLSGOMVTF-QFIPXVFZSA-N
MW610.66 g/mol
LogP5.33
Rot. Bonds10

About 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide

3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide (PubChem CID 59588671) has the molecular formula C30H29F3N6O3S and a molecular weight of 610.66 g/mol. Its IUPAC name is 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
PubChem CID59588671
Molecular FormulaC30H29F3N6O3S
Molecular Weight610.66 g/mol
Exact Mass610.20
IUPAC Name3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide
SMILESCC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3cnn(-c4cccc(C(F)(F)F)c4)c3)cccn12
InChIInChI=1S/C30H29F3N6O3S/c1-18(2)11-22(16-40)36-29(42)26-25(20-8-10-43-17-20)37-27-24(7-4-9-38(26)27)28(41)34-13-19-14-35-39(15-19)23-6-3-5-21(12-23)30(31,32)33/h3-10,12,14-15,17-18,22,40H,11,13,16H2,1-2H3,(H,34,41)(H,36,42)/t22-/m0/s1
InChIKeyPCHSEDLSGOMVTF-QFIPXVFZSA-N
XLogP5.33
TPSA113.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.66
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The IUPAC name of 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide (CID 59588671) is 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide.
What is the SMILES notation for 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The canonical SMILES for 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide is CC(C)C[C@@H](CO)NC(=O)c1c(-c2ccsc2)nc2c(C(=O)NCc3cnn(-c4cccc(C(F)(F)F)c4)c3)cccn12.
What is the InChIKey of 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
The InChIKey is PCHSEDLSGOMVTF-QFIPXVFZSA-N. The full InChI is InChI=1S/C30H29F3N6O3S/c1-18(2)11-22(16-40)36-29(42)26-25(20-8-10-43-17-20)37-27-24(7-4-9-38(26)27)28(41)34-13-19-14-35-39(15-19)23-6-3-5-21(12-23)30(31,32)33/h3-10,12,14-15,17-18,22,40H,11,13,16H2,1-2H3,(H,34,41)(H,36,42)/t22-/m0/s1.
What are the key properties of 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide?
3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide has a molecular weight of 610.66 g/mol, XLogP of 5.33, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-thiophen-3-yl-8-N-[[1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-3,8-dicarboxamide is sourced from PubChem (CID 59588671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).