N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide

C19H14BrN3OS — CID 55975736

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide
SMILESO=C(NCc1cn2cc(Br)ccc2n1)c1sccc1-c1ccccc1
InChIInChI=1S/C19H14BrN3OS/c20-14-6-7-17-22-15(12-23(17)11-14)10-21-19(24)18-16(8-9-25-18)13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,21,24)
InChIKeyBBQCTHQOLWFSQV-UHFFFAOYSA-N
MW412.31 g/mol
LogP4.76
Rot. Bonds4

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide (PubChem CID 55975736) has the molecular formula C19H14BrN3OS and a molecular weight of 412.31 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide
PubChem CID55975736
Molecular FormulaC19H14BrN3OS
Molecular Weight412.31 g/mol
Exact Mass411.00
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide
SMILESO=C(NCc1cn2cc(Br)ccc2n1)c1sccc1-c1ccccc1
InChIInChI=1S/C19H14BrN3OS/c20-14-6-7-17-22-15(12-23(17)11-14)10-21-19(24)18-16(8-9-25-18)13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,21,24)
InChIKeyBBQCTHQOLWFSQV-UHFFFAOYSA-N
XLogP4.76
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.31
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide (CID 55975736) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide is O=C(NCc1cn2cc(Br)ccc2n1)c1sccc1-c1ccccc1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide?
The InChIKey is BBQCTHQOLWFSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14BrN3OS/c20-14-6-7-17-22-15(12-23(17)11-14)10-21-19(24)18-16(8-9-25-18)13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,21,24).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide has a molecular weight of 412.31 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylthiophene-2-carboxamide is sourced from PubChem (CID 55975736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).