4-[[4-[4-[6-chloro-2-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine

C30H28ClFN6O — CID 71175804

About 4-[[4-[4-[6-chloro-2-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine

4-[[4-[4-[6-chloro-2-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine (PubChem CID 71175804) has the molecular formula C30H28ClFN6O and a molecular weight of 543.05 g/mol. Its IUPAC name is 4-[[4-[4-[6-chloro-2-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 4-[[4-[4-[6-chloro-2-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine
• PubChem CID: 71175804
• Molecular Formula: C30H28ClFN6O
• Molecular Weight: 543.05 g/mol
• Exact Mass: 542.20
• IUPAC Name: 4-[[4-[4-[6-chloro-2-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine
• SMILES: Cc1ccc(-c2nc3cc(Cl)cnc3n2-c2ccc(OC3CCN(Cc4ccnc(N)c4)CC3)cc2)cc1F
• InChI: InChI=1S/C30H28ClFN6O/c1-19-2-3-21(15-26(19)32)29-36-27-16-22(31)17-35-30(27)38(29)23-4-6-24(7-5-23)39-25-9-12-37(13-10-25)18-20-8-11-34-28(33)14-20/h2-8,11,14-17,25H,9-10,12-13,18H2,1H3,(H2,33,34)
• InChIKey: FZVHQGKWADIDKG-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 82.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.05
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-[6-chloro-2-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine?

The IUPAC name of 4-[[4-[4-[6-chloro-2-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine (CID 71175804) is 4-[[4-[4-[6-chloro-2-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine.

What is the SMILES notation for 4-[[4-[4-[6-chloro-2-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine?

The canonical SMILES for 4-[[4-[4-[6-chloro-2-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine is Cc1ccc(-c2nc3cc(Cl)cnc3n2-c2ccc(OC3CCN(Cc4ccnc(N)c4)CC3)cc2)cc1F.

What is the InChIKey of 4-[[4-[4-[6-chloro-2-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine?

The InChIKey is FZVHQGKWADIDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClFN6O/c1-19-2-3-21(15-26(19)32)29-36-27-16-22(31)17-35-30(27)38(29)23-4-6-24(7-5-23)39-25-9-12-37(13-10-25)18-20-8-11-34-28(33)14-20/h2-8,11,14-17,25H,9-10,12-13,18H2,1H3,(H2,33,34).

What are the key properties of 4-[[4-[4-[6-chloro-2-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine?

4-[[4-[4-[6-chloro-2-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 543.05 g/mol, XLogP of 6.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[4-[6-chloro-2-(3-fluoro-4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]phenoxy]piperidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 71175804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).