3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(5-methyl-1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

C21H20F3N7 — CID 170102123

About 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(5-methyl-1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(5-methyl-1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 170102123) has the molecular formula C21H20F3N7 and a molecular weight of 427.43 g/mol. Its IUPAC name is 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(5-methyl-1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(5-methyl-1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
• PubChem CID: 170102123
• Molecular Formula: C21H20F3N7
• Molecular Weight: 427.43 g/mol
• Exact Mass: 427.17
• IUPAC Name: 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(5-methyl-1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
• SMILES: Cc1cnc(-c2ccn3c(-c4nc(NC5CNCCC5F)c(F)cc4F)cnc3c2)[nH]1
• InChI: InChI=1S/C21H20F3N7/c1-11-8-27-20(28-11)12-3-5-31-17(10-26-18(31)6-12)19-14(23)7-15(24)21(30-19)29-16-9-25-4-2-13(16)22/h3,5-8,10,13,16,25H,2,4,9H2,1H3,(H,27,28)(H,29,30)
• InChIKey: VTFXEDTXRXZDIK-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 82.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.43
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(5-methyl-1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?

The IUPAC name of 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(5-methyl-1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 170102123) is 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(5-methyl-1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

What is the SMILES notation for 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(5-methyl-1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?

The canonical SMILES for 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(5-methyl-1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is Cc1cnc(-c2ccn3c(-c4nc(NC5CNCCC5F)c(F)cc4F)cnc3c2)[nH]1.

What is the InChIKey of 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(5-methyl-1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?

The InChIKey is VTFXEDTXRXZDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N7/c1-11-8-27-20(28-11)12-3-5-31-17(10-26-18(31)6-12)19-14(23)7-15(24)21(30-19)29-16-9-25-4-2-13(16)22/h3,5-8,10,13,16,25H,2,4,9H2,1H3,(H,27,28)(H,29,30).

What are the key properties of 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(5-methyl-1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?

3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(5-methyl-1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 427.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-N-(4-fluoropiperidin-3-yl)-6-[7-(5-methyl-1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 170102123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).