1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide

C26H23FN6OS — CID 169049441

IUPAC1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
SMILESCC(C)c1cccc2nc(/C=C/c3csc(NC(=O)c4cccn4Cc4ccnc(F)c4)n3)cn12
InChIInChI=1S/C26H23FN6OS/c1-17(2)21-5-3-7-24-29-19(15-33(21)24)8-9-20-16-35-26(30-20)31-25(34)22-6-4-12-32(22)14-18-10-11-28-23(27)13-18/h3-13,15-17H,14H2,1-2H3,(H,30,31,34)/b9-8+
InChIKeyWHRIOBUGTXPMPF-CMDGGOBGSA-N
MW486.58 g/mol
LogP5.72
Rot. Bonds7

About 1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide

1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide (PubChem CID 169049441) has the molecular formula C26H23FN6OS and a molecular weight of 486.58 g/mol. Its IUPAC name is 1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
PubChem CID169049441
Molecular FormulaC26H23FN6OS
Molecular Weight486.58 g/mol
Exact Mass486.16
IUPAC Name1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide
SMILESCC(C)c1cccc2nc(/C=C/c3csc(NC(=O)c4cccn4Cc4ccnc(F)c4)n3)cn12
InChIInChI=1S/C26H23FN6OS/c1-17(2)21-5-3-7-24-29-19(15-33(21)24)8-9-20-16-35-26(30-20)31-25(34)22-6-4-12-32(22)14-18-10-11-28-23(27)13-18/h3-13,15-17H,14H2,1-2H3,(H,30,31,34)/b9-8+
InChIKeyWHRIOBUGTXPMPF-CMDGGOBGSA-N
XLogP5.72
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide 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 1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?
The IUPAC name of 1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide (CID 169049441) is 1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?
The canonical SMILES for 1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide is CC(C)c1cccc2nc(/C=C/c3csc(NC(=O)c4cccn4Cc4ccnc(F)c4)n3)cn12.
What is the InChIKey of 1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?
The InChIKey is WHRIOBUGTXPMPF-CMDGGOBGSA-N. The full InChI is InChI=1S/C26H23FN6OS/c1-17(2)21-5-3-7-24-29-19(15-33(21)24)8-9-20-16-35-26(30-20)31-25(34)22-6-4-12-32(22)14-18-10-11-28-23(27)13-18/h3-13,15-17H,14H2,1-2H3,(H,30,31,34)/b9-8+.
What are the key properties of 1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide?
1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-4-pyridinyl)methyl]-N-[4-[(E)-2-(5-propan-2-ylimidazo[1,2-a]pyridin-2-yl)ethenyl]-1,3-thiazol-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 169049441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).