8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

C24H28F4N4O3 — CID 90115570

About 8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide

8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90115570) has the molecular formula C24H28F4N4O3 and a molecular weight of 496.51 g/mol. Its IUPAC name is 8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 90115570
• Molecular Formula: C24H28F4N4O3
• Molecular Weight: 496.51 g/mol
• Exact Mass: 496.21
• IUPAC Name: 8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1cc(OCc2ncccc2F)c2nc(C)c(C(=O)NC(CCCC(F)(F)F)C(C)(C)O)n2c1
• InChI: InChI=1S/C24H28F4N4O3/c1-14-11-18(35-13-17-16(25)7-6-10-29-17)21-30-15(2)20(32(21)12-14)22(33)31-19(23(3,4)34)8-5-9-24(26,27)28/h6-7,10-12,19,34H,5,8-9,13H2,1-4H3,(H,31,33)
• InChIKey: NPWVZWOTSZPIPK-UHFFFAOYSA-N
• XLogP: 4.67
• TPSA: 88.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.51
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 90115570) is 8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(OCc2ncccc2F)c2nc(C)c(C(=O)NC(CCCC(F)(F)F)C(C)(C)O)n2c1.

What is the InChIKey of 8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is NPWVZWOTSZPIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N4O3/c1-14-11-18(35-13-17-16(25)7-6-10-29-17)21-30-15(2)20(32(21)12-14)22(33)31-19(23(3,4)34)8-5-9-24(26,27)28/h6-7,10-12,19,34H,5,8-9,13H2,1-4H3,(H,31,33).

What are the key properties of 8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide?

8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 496.51 g/mol, XLogP of 4.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(3-fluoro-2-pyridinyl)methoxy]-2,6-dimethyl-N-(7,7,7-trifluoro-2-hydroxy-2-methylheptan-3-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90115570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).