2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide

C29H20N4OS — CID 108810602

IUPAC2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESO=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C29H20N4OS/c34-28(23-15-16-33-18-25(31-27(33)17-23)20-7-3-1-4-8-20)30-24-13-11-21(12-14-24)26-19-35-29(32-26)22-9-5-2-6-10-22/h1-19H,(H,30,34)
InChIKeyQYNGDBVJLSRKKD-UHFFFAOYSA-N
MW472.57 g/mol
LogP7.04
Rot. Bonds5

About 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide

2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 108810602) has the molecular formula C29H20N4OS and a molecular weight of 472.57 g/mol. Its IUPAC name is 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID108810602
Molecular FormulaC29H20N4OS
Molecular Weight472.57 g/mol
Exact Mass472.14
IUPAC Name2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide
SMILESO=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccn2cc(-c3ccccc3)nc2c1
InChIInChI=1S/C29H20N4OS/c34-28(23-15-16-33-18-25(31-27(33)17-23)20-7-3-1-4-8-20)30-24-13-11-21(12-14-24)26-19-35-29(32-26)22-9-5-2-6-10-22/h1-19H,(H,30,34)
InChIKeyQYNGDBVJLSRKKD-UHFFFAOYSA-N
XLogP7.04
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide (CID 108810602) is 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide is O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccn2cc(-c3ccccc3)nc2c1.
What is the InChIKey of 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is QYNGDBVJLSRKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N4OS/c34-28(23-15-16-33-18-25(31-27(33)17-23)20-7-3-1-4-8-20)30-24-13-11-21(12-14-24)26-19-35-29(32-26)22-9-5-2-6-10-22/h1-19H,(H,30,34).
What are the key properties of 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide?
2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 7.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 108810602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).