3-chloro-N-[1-[2,6-difluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide

C28H28ClF2N3O3 — CID 68651512

About 3-chloro-N-[1-[2,6-difluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide

3-chloro-N-[1-[2,6-difluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide (PubChem CID 68651512) has the molecular formula C28H28ClF2N3O3 and a molecular weight of 528.00 g/mol. Its IUPAC name is 3-chloro-N-[1-[2,6-difluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

• Compound Name: 3-chloro-N-[1-[2,6-difluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
• PubChem CID: 68651512
• Molecular Formula: C28H28ClF2N3O3
• Molecular Weight: 528.00 g/mol
• Exact Mass: 527.18
• IUPAC Name: 3-chloro-N-[1-[2,6-difluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide
• SMILES: Cc1cccn2cc(-c3cc(F)c(CC(CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)c(F)c3)nc12
• InChI: InChI=1S/C28H28ClF2N3O3/c1-16(2)37-26-7-6-18(11-22(26)29)28(36)32-20(8-10-35)14-21-23(30)12-19(13-24(21)31)25-15-34-9-4-5-17(3)27(34)33-25/h4-7,9,11-13,15-16,20,35H,8,10,14H2,1-3H3,(H,32,36)
• InChIKey: KKIDNNDLKGOMFT-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 75.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.00
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[2,6-difluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide?

The IUPAC name of 3-chloro-N-[1-[2,6-difluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide (CID 68651512) is 3-chloro-N-[1-[2,6-difluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide.

What is the SMILES notation for 3-chloro-N-[1-[2,6-difluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide?

The canonical SMILES for 3-chloro-N-[1-[2,6-difluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide is Cc1cccn2cc(-c3cc(F)c(CC(CCO)NC(=O)c4ccc(OC(C)C)c(Cl)c4)c(F)c3)nc12.

What is the InChIKey of 3-chloro-N-[1-[2,6-difluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide?

The InChIKey is KKIDNNDLKGOMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClF2N3O3/c1-16(2)37-26-7-6-18(11-22(26)29)28(36)32-20(8-10-35)14-21-23(30)12-19(13-24(21)31)25-15-34-9-4-5-17(3)27(34)33-25/h4-7,9,11-13,15-16,20,35H,8,10,14H2,1-3H3,(H,32,36).

What are the key properties of 3-chloro-N-[1-[2,6-difluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide?

3-chloro-N-[1-[2,6-difluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide has a molecular weight of 528.00 g/mol, XLogP of 5.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[1-[2,6-difluoro-4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-4-hydroxybutan-2-yl]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 68651512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).