2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide

C30H33ClF2N4O5 — CID 135315721

About 2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide

2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide (PubChem CID 135315721) has the molecular formula C30H33ClF2N4O5 and a molecular weight of 603.07 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide.

Molecular Properties

• Compound Name: 2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide
• PubChem CID: 135315721
• Molecular Formula: C30H33ClF2N4O5
• Molecular Weight: 603.07 g/mol
• Exact Mass: 602.21
• IUPAC Name: 2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide
• SMILES: COc1cn(C(CCOC(C)(C)C)C(=O)Nc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1OCC(F)F
• InChI: InChI=1S/C30H33ClF2N4O5/c1-30(2,3)42-11-10-24(29(39)34-20-7-8-23-18(12-20)15-36(4)35-23)37-16-26(40-5)22(14-28(37)38)21-13-19(31)6-9-25(21)41-17-27(32)33/h6-9,12-16,24,27H,10-11,17H2,1-5H3,(H,34,39)
• InChIKey: WSOAWNPAPHVKLE-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 96.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.07
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide?

The IUPAC name of 2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide (CID 135315721) is 2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide.

What is the SMILES notation for 2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide?

The canonical SMILES for 2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide is COc1cn(C(CCOC(C)(C)C)C(=O)Nc2ccc3nn(C)cc3c2)c(=O)cc1-c1cc(Cl)ccc1OCC(F)F.

What is the InChIKey of 2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide?

The InChIKey is WSOAWNPAPHVKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClF2N4O5/c1-30(2,3)42-11-10-24(29(39)34-20-7-8-23-18(12-20)15-36(4)35-23)37-16-26(40-5)22(14-28(37)38)21-13-19(31)6-9-25(21)41-17-27(32)33/h6-9,12-16,24,27H,10-11,17H2,1-5H3,(H,34,39).

What are the key properties of 2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide?

2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide has a molecular weight of 603.07 g/mol, XLogP of 6.09, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-chloro-2-(2,2-difluoroethoxy)phenyl]-5-methoxy-2-oxo-1-pyridinyl]-N-(2-methylindazol-5-yl)-4-[(2-methylpropan-2-yl)oxy]butanamide is sourced from PubChem (CID 135315721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).