8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C23H23F2N5O — CID 138742207

About 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine

8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 138742207) has the molecular formula C23H23F2N5O and a molecular weight of 423.47 g/mol. Its IUPAC name is 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

Molecular Properties

• Compound Name: 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
• PubChem CID: 138742207
• Molecular Formula: C23H23F2N5O
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.19
• IUPAC Name: 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine
• SMILES: COc1ccccc1CNc1ccc(-c2cc(F)c(CN(C)C)c(F)c2)c2nncn12
• InChI: InChI=1S/C23H23F2N5O/c1-29(2)13-18-19(24)10-16(11-20(18)25)17-8-9-22(30-14-27-28-23(17)30)26-12-15-6-4-5-7-21(15)31-3/h4-11,14,26H,12-13H2,1-3H3
• InChIKey: LRXMADOIILTBME-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 54.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?

The IUPAC name of 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 138742207) is 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine.

What is the SMILES notation for 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?

The canonical SMILES for 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is COc1ccccc1CNc1ccc(-c2cc(F)c(CN(C)C)c(F)c2)c2nncn12.

What is the InChIKey of 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?

The InChIKey is LRXMADOIILTBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O/c1-29(2)13-18-19(24)10-16(11-20(18)25)17-8-9-22(30-14-27-28-23(17)30)26-12-15-6-4-5-7-21(15)31-3/h4-11,14,26H,12-13H2,1-3H3.

What are the key properties of 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine?

8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine has a molecular weight of 423.47 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[(dimethylamino)methyl]-3,5-difluorophenyl]-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-amine is sourced from PubChem (CID 138742207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).