methyl 4-[2-[5-chloro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylate

C29H34ClN5O5 — CID 152636629

About methyl 4-[2-[5-chloro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylate

methyl 4-[2-[5-chloro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylate (PubChem CID 152636629) has the molecular formula C29H34ClN5O5 and a molecular weight of 568.07 g/mol. Its IUPAC name is methyl 4-[2-[5-chloro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylate.

Molecular Properties

• Compound Name: methyl 4-[2-[5-chloro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylate
• PubChem CID: 152636629
• Molecular Formula: C29H34ClN5O5
• Molecular Weight: 568.07 g/mol
• Exact Mass: 567.22
• IUPAC Name: methyl 4-[2-[5-chloro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylate
• SMILES: COC(=O)c1nn(C)c(C)c1CCOc1cc(Cl)ccc1-c1ccc2ncc(CCNC(=O)OC(C)(C)C)n2c1
• InChI: InChI=1S/C29H34ClN5O5/c1-18-22(26(27(36)38-6)33-34(18)5)12-14-39-24-15-20(30)8-9-23(24)19-7-10-25-32-16-21(35(25)17-19)11-13-31-28(37)40-29(2,3)4/h7-10,15-17H,11-14H2,1-6H3,(H,31,37)
• InChIKey: ZERAKMMGLJJGON-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 108.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.07
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[5-chloro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylate?

The IUPAC name of methyl 4-[2-[5-chloro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylate (CID 152636629) is methyl 4-[2-[5-chloro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylate.

What is the SMILES notation for methyl 4-[2-[5-chloro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylate?

The canonical SMILES for methyl 4-[2-[5-chloro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylate is COC(=O)c1nn(C)c(C)c1CCOc1cc(Cl)ccc1-c1ccc2ncc(CCNC(=O)OC(C)(C)C)n2c1.

What is the InChIKey of methyl 4-[2-[5-chloro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylate?

The InChIKey is ZERAKMMGLJJGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34ClN5O5/c1-18-22(26(27(36)38-6)33-34(18)5)12-14-39-24-15-20(30)8-9-23(24)19-7-10-25-32-16-21(35(25)17-19)11-13-31-28(37)40-29(2,3)4/h7-10,15-17H,11-14H2,1-6H3,(H,31,37).

What are the key properties of methyl 4-[2-[5-chloro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylate?

methyl 4-[2-[5-chloro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylate has a molecular weight of 568.07 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[2-[5-chloro-2-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridin-6-yl]phenoxy]ethyl]-1,5-dimethylpyrazole-3-carboxylate is sourced from PubChem (CID 152636629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).