4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine

C22H16ClF2N5 — CID 129033326

About 4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine

4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine (PubChem CID 129033326) has the molecular formula C22H16ClF2N5 and a molecular weight of 423.85 g/mol. Its IUPAC name is 4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine
• PubChem CID: 129033326
• Molecular Formula: C22H16ClF2N5
• Molecular Weight: 423.85 g/mol
• Exact Mass: 423.11
• IUPAC Name: 4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine
• SMILES: Cc1cc(-c2ncc(CNc3nccc(-c4cncc(Cl)c4)c3F)cc2F)ccn1
• InChI: InChI=1S/C22H16ClF2N5/c1-13-6-15(2-4-27-13)21-19(24)7-14(9-29-21)10-30-22-20(25)18(3-5-28-22)16-8-17(23)12-26-11-16/h2-9,11-12H,10H2,1H3,(H,28,30)
• InChIKey: GCRJNRVEHOAVGG-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 63.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.85
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine?

The IUPAC name of 4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine (CID 129033326) is 4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine.

What is the SMILES notation for 4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine?

The canonical SMILES for 4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine is Cc1cc(-c2ncc(CNc3nccc(-c4cncc(Cl)c4)c3F)cc2F)ccn1.

What is the InChIKey of 4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine?

The InChIKey is GCRJNRVEHOAVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2N5/c1-13-6-15(2-4-27-13)21-19(24)7-14(9-29-21)10-30-22-20(25)18(3-5-28-22)16-8-17(23)12-26-11-16/h2-9,11-12H,10H2,1H3,(H,28,30).

What are the key properties of 4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine?

4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine has a molecular weight of 423.85 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-chloro-3-pyridinyl)-3-fluoro-N-[[5-fluoro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridin-2-amine is sourced from PubChem (CID 129033326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).