2-methoxyethyl 3-[4-[[2-[[[3-tert-butyl-1-[3-(2-hydroxyethoxy)phenyl]pyrazol-5-yl]carbamoylamino]methyl]phenyl]methoxy]-3-chloro-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate

C41H46ClN5O8 — CID 69077119

About 2-methoxyethyl 3-[4-[[2-[[[3-tert-butyl-1-[3-(2-hydroxyethoxy)phenyl]pyrazol-5-yl]carbamoylamino]methyl]phenyl]methoxy]-3-chloro-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate

2-methoxyethyl 3-[4-[[2-[[[3-tert-butyl-1-[3-(2-hydroxyethoxy)phenyl]pyrazol-5-yl]carbamoylamino]methyl]phenyl]methoxy]-3-chloro-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate (PubChem CID 69077119) has the molecular formula C41H46ClN5O8 and a molecular weight of 772.30 g/mol. Its IUPAC name is 2-methoxyethyl 3-[4-[[2-[[[3-tert-butyl-1-[3-(2-hydroxyethoxy)phenyl]pyrazol-5-yl]carbamoylamino]methyl]phenyl]methoxy]-3-chloro-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate.

Molecular Properties

• Compound Name: 2-methoxyethyl 3-[4-[[2-[[[3-tert-butyl-1-[3-(2-hydroxyethoxy)phenyl]pyrazol-5-yl]carbamoylamino]methyl]phenyl]methoxy]-3-chloro-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate
• PubChem CID: 69077119
• Molecular Formula: C41H46ClN5O8
• Molecular Weight: 772.30 g/mol
• Exact Mass: 771.30
• IUPAC Name: 2-methoxyethyl 3-[4-[[2-[[[3-tert-butyl-1-[3-(2-hydroxyethoxy)phenyl]pyrazol-5-yl]carbamoylamino]methyl]phenyl]methoxy]-3-chloro-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate
• SMILES: COCCOC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccccc3CNC(=O)Nc3cc(C(C)(C)C)nn3-c3cccc(OCCO)c3)c(Cl)c2=O)c1
• InChI: InChI=1S/C41H46ClN5O8/c1-26-14-15-28(39(50)54-19-18-52-6)21-33(26)46-27(2)20-34(37(42)38(46)49)55-25-30-11-8-7-10-29(30)24-43-40(51)44-36-23-35(41(3,4)5)45-47(36)31-12-9-13-32(22-31)53-17-16-48/h7-15,20-23,48H,16-19,24-25H2,1-6H3,(H2,43,44,51)
• InChIKey: QCCKUDQWOVRPDR-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 155.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	772.30
LogP ≤ 5	6.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-[4-[[2-[[[3-tert-butyl-1-[3-(2-hydroxyethoxy)phenyl]pyrazol-5-yl]carbamoylamino]methyl]phenyl]methoxy]-3-chloro-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate?

The IUPAC name of 2-methoxyethyl 3-[4-[[2-[[[3-tert-butyl-1-[3-(2-hydroxyethoxy)phenyl]pyrazol-5-yl]carbamoylamino]methyl]phenyl]methoxy]-3-chloro-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate (CID 69077119) is 2-methoxyethyl 3-[4-[[2-[[[3-tert-butyl-1-[3-(2-hydroxyethoxy)phenyl]pyrazol-5-yl]carbamoylamino]methyl]phenyl]methoxy]-3-chloro-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate.

What is the SMILES notation for 2-methoxyethyl 3-[4-[[2-[[[3-tert-butyl-1-[3-(2-hydroxyethoxy)phenyl]pyrazol-5-yl]carbamoylamino]methyl]phenyl]methoxy]-3-chloro-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate?

The canonical SMILES for 2-methoxyethyl 3-[4-[[2-[[[3-tert-butyl-1-[3-(2-hydroxyethoxy)phenyl]pyrazol-5-yl]carbamoylamino]methyl]phenyl]methoxy]-3-chloro-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate is COCCOC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccccc3CNC(=O)Nc3cc(C(C)(C)C)nn3-c3cccc(OCCO)c3)c(Cl)c2=O)c1.

What is the InChIKey of 2-methoxyethyl 3-[4-[[2-[[[3-tert-butyl-1-[3-(2-hydroxyethoxy)phenyl]pyrazol-5-yl]carbamoylamino]methyl]phenyl]methoxy]-3-chloro-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate?

The InChIKey is QCCKUDQWOVRPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46ClN5O8/c1-26-14-15-28(39(50)54-19-18-52-6)21-33(26)46-27(2)20-34(37(42)38(46)49)55-25-30-11-8-7-10-29(30)24-43-40(51)44-36-23-35(41(3,4)5)45-47(36)31-12-9-13-32(22-31)53-17-16-48/h7-15,20-23,48H,16-19,24-25H2,1-6H3,(H2,43,44,51).

What are the key properties of 2-methoxyethyl 3-[4-[[2-[[[3-tert-butyl-1-[3-(2-hydroxyethoxy)phenyl]pyrazol-5-yl]carbamoylamino]methyl]phenyl]methoxy]-3-chloro-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate?

2-methoxyethyl 3-[4-[[2-[[[3-tert-butyl-1-[3-(2-hydroxyethoxy)phenyl]pyrazol-5-yl]carbamoylamino]methyl]phenyl]methoxy]-3-chloro-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate has a molecular weight of 772.30 g/mol, XLogP of 6.67, 15 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl 3-[4-[[2-[[[3-tert-butyl-1-[3-(2-hydroxyethoxy)phenyl]pyrazol-5-yl]carbamoylamino]methyl]phenyl]methoxy]-3-chloro-6-methyl-2-oxo-1-pyridinyl]-4-methylbenzoate is sourced from PubChem (CID 69077119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).