6-[5-[(2-fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C27H21FN4O2 — CID 138706911

IUPAC6-[5-[(2-fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(OCc3ccccc3F)cc2-c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C27H21FN4O2/c1-17-5-4-8-24(31-17)21-11-10-20(34-16-19-6-2-3-7-23(19)28)13-22(21)18-9-12-26-30-14-25(27(29)33)32(26)15-18/h2-15H,16H2,1H3,(H2,29,33)
InChIKeyBSTPHJPQYISGIA-UHFFFAOYSA-N
MW452.49 g/mol
LogP5.19
Rot. Bonds6

About 6-[5-[(2-fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide

6-[5-[(2-fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 138706911) has the molecular formula C27H21FN4O2 and a molecular weight of 452.49 g/mol. Its IUPAC name is 6-[5-[(2-fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-[(2-fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID138706911
Molecular FormulaC27H21FN4O2
Molecular Weight452.49 g/mol
Exact Mass452.16
IUPAC Name6-[5-[(2-fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(OCc3ccccc3F)cc2-c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C27H21FN4O2/c1-17-5-4-8-24(31-17)21-11-10-20(34-16-19-6-2-3-7-23(19)28)13-22(21)18-9-12-26-30-14-25(27(29)33)32(26)15-18/h2-15H,16H2,1H3,(H2,29,33)
InChIKeyBSTPHJPQYISGIA-UHFFFAOYSA-N
XLogP5.19
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.49
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[(2-fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[5-[(2-fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 138706911) is 6-[5-[(2-fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-[(2-fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[5-[(2-fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(-c2ccc(OCc3ccccc3F)cc2-c2ccc3ncc(C(N)=O)n3c2)n1.
What is the InChIKey of 6-[5-[(2-fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BSTPHJPQYISGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4O2/c1-17-5-4-8-24(31-17)21-11-10-20(34-16-19-6-2-3-7-23(19)28)13-22(21)18-9-12-26-30-14-25(27(29)33)32(26)15-18/h2-15H,16H2,1H3,(H2,29,33).
What are the key properties of 6-[5-[(2-fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[5-[(2-fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(2-fluorophenyl)methoxy]-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 138706911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).