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

C26H19FN4O2 — CID 138707020

IUPAC6-[5-(2-fluorophenoxy)-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(Oc3ccccc3F)cc2-c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C26H19FN4O2/c1-16-5-4-7-22(30-16)19-11-10-18(33-24-8-3-2-6-21(24)27)13-20(19)17-9-12-25-29-14-23(26(28)32)31(25)15-17/h2-15H,1H3,(H2,28,32)
InChIKeyBHEHIGNHNYPYPP-UHFFFAOYSA-N
MW438.46 g/mol
LogP5.40
Rot. Bonds5

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

6-[5-(2-fluorophenoxy)-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 138707020) has the molecular formula C26H19FN4O2 and a molecular weight of 438.46 g/mol. Its IUPAC name is 6-[5-(2-fluorophenoxy)-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(2-fluorophenoxy)-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID138707020
Molecular FormulaC26H19FN4O2
Molecular Weight438.46 g/mol
Exact Mass438.15
IUPAC Name6-[5-(2-fluorophenoxy)-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cccc(-c2ccc(Oc3ccccc3F)cc2-c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C26H19FN4O2/c1-16-5-4-7-22(30-16)19-11-10-18(33-24-8-3-2-6-21(24)27)13-20(19)17-9-12-25-29-14-23(26(28)32)31(25)15-17/h2-15H,1H3,(H2,28,32)
InChIKeyBHEHIGNHNYPYPP-UHFFFAOYSA-N
XLogP5.40
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.46
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2-fluorophenoxy)-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[5-(2-fluorophenoxy)-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 138707020) is 6-[5-(2-fluorophenoxy)-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[5-(2-fluorophenoxy)-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[5-(2-fluorophenoxy)-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cccc(-c2ccc(Oc3ccccc3F)cc2-c2ccc3ncc(C(N)=O)n3c2)n1.
What is the InChIKey of 6-[5-(2-fluorophenoxy)-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BHEHIGNHNYPYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O2/c1-16-5-4-7-22(30-16)19-11-10-18(33-24-8-3-2-6-21(24)27)13-20(19)17-9-12-25-29-14-23(26(28)32)31(25)15-17/h2-15H,1H3,(H2,28,32).
What are the key properties of 6-[5-(2-fluorophenoxy)-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[5-(2-fluorophenoxy)-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2-fluorophenoxy)-2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 138707020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).