benzyl N-[3-(4-chlorophenyl)-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]amino]-1-oxopropan-2-yl]carbamate

C33H29ClF2N4O4 — CID 142448657

About benzyl N-[3-(4-chlorophenyl)-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]amino]-1-oxopropan-2-yl]carbamate

benzyl N-[3-(4-chlorophenyl)-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]amino]-1-oxopropan-2-yl]carbamate (PubChem CID 142448657) has the molecular formula C33H29ClF2N4O4 and a molecular weight of 619.07 g/mol. Its IUPAC name is benzyl N-[3-(4-chlorophenyl)-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[3-(4-chlorophenyl)-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]amino]-1-oxopropan-2-yl]carbamate
• PubChem CID: 142448657
• Molecular Formula: C33H29ClF2N4O4
• Molecular Weight: 619.07 g/mol
• Exact Mass: 618.18
• IUPAC Name: benzyl N-[3-(4-chlorophenyl)-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]amino]-1-oxopropan-2-yl]carbamate
• SMILES: Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(NC(=O)C(Cc3ccc(Cl)cc3)NC(=O)OCc3ccccc3)n2c1
• InChI: InChI=1S/C33H29ClF2N4O4/c1-20-15-29(43-19-25-26(35)9-6-10-27(25)36)31-37-21(2)30(40(31)17-20)39-32(41)28(16-22-11-13-24(34)14-12-22)38-33(42)44-18-23-7-4-3-5-8-23/h3-15,17,28H,16,18-19H2,1-2H3,(H,38,42)(H,39,41)
• InChIKey: AJHBVGMVCVSDJK-UHFFFAOYSA-N
• XLogP: 6.94
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.07
LogP ≤ 5	6.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(4-chlorophenyl)-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]amino]-1-oxopropan-2-yl]carbamate?

The IUPAC name of benzyl N-[3-(4-chlorophenyl)-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]amino]-1-oxopropan-2-yl]carbamate (CID 142448657) is benzyl N-[3-(4-chlorophenyl)-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]amino]-1-oxopropan-2-yl]carbamate.

What is the SMILES notation for benzyl N-[3-(4-chlorophenyl)-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]amino]-1-oxopropan-2-yl]carbamate?

The canonical SMILES for benzyl N-[3-(4-chlorophenyl)-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]amino]-1-oxopropan-2-yl]carbamate is Cc1cc(OCc2c(F)cccc2F)c2nc(C)c(NC(=O)C(Cc3ccc(Cl)cc3)NC(=O)OCc3ccccc3)n2c1.

What is the InChIKey of benzyl N-[3-(4-chlorophenyl)-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]amino]-1-oxopropan-2-yl]carbamate?

The InChIKey is AJHBVGMVCVSDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29ClF2N4O4/c1-20-15-29(43-19-25-26(35)9-6-10-27(25)36)31-37-21(2)30(40(31)17-20)39-32(41)28(16-22-11-13-24(34)14-12-22)38-33(42)44-18-23-7-4-3-5-8-23/h3-15,17,28H,16,18-19H2,1-2H3,(H,38,42)(H,39,41).

What are the key properties of benzyl N-[3-(4-chlorophenyl)-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]amino]-1-oxopropan-2-yl]carbamate?

benzyl N-[3-(4-chlorophenyl)-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 619.07 g/mol, XLogP of 6.94, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[3-(4-chlorophenyl)-1-[[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 142448657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).