2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide

C30H28ClF3N6O4 — CID 135205464

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

2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide (PubChem CID 135205464) has the molecular formula C30H28ClF3N6O4 and a molecular weight of 629.04 g/mol. Its IUPAC name is 2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide.

Molecular Properties

• Compound Name: 2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide
• PubChem CID: 135205464
• Molecular Formula: C30H28ClF3N6O4
• Molecular Weight: 629.04 g/mol
• Exact Mass: 628.18
• IUPAC Name: 2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide
• SMILES: COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cnn(CC(F)(F)F)c2)cc1=O
• InChI: InChI=1S/C30H28ClF3N6O4/c1-38-14-18-10-21(5-7-25(18)37-38)36-29(42)26(8-9-43-2)40-16-27(44-3)24(12-28(40)41)23-11-20(31)4-6-22(23)19-13-35-39(15-19)17-30(32,33)34/h4-7,10-16,26H,8-9,17H2,1-3H3,(H,36,42)
• InChIKey: SSDUONDHEXQWQO-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 105.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.04
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide (CID 135205464) is 2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide.

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

The canonical SMILES for 2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide is COCCC(C(=O)Nc1ccc2nn(C)cc2c1)n1cc(OC)c(-c2cc(Cl)ccc2-c2cnn(CC(F)(F)F)c2)cc1=O.

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

The InChIKey is SSDUONDHEXQWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28ClF3N6O4/c1-38-14-18-10-21(5-7-25(18)37-38)36-29(42)26(8-9-43-2)40-16-27(44-3)24(12-28(40)41)23-11-20(31)4-6-22(23)19-13-35-39(15-19)17-30(32,33)34/h4-7,10-16,26H,8-9,17H2,1-3H3,(H,36,42).

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

2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide has a molecular weight of 629.04 g/mol, XLogP of 5.71, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxo-1-pyridinyl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide is sourced from PubChem (CID 135205464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).