N-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide

C33H37FN4O6 — CID 98344384

About N-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide

N-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 98344384) has the molecular formula C33H37FN4O6 and a molecular weight of 604.68 g/mol. Its IUPAC name is N-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide
• PubChem CID: 98344384
• Molecular Formula: C33H37FN4O6
• Molecular Weight: 604.68 g/mol
• Exact Mass: 604.27
• IUPAC Name: N-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide
• SMILES: COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccccc2F)cc1
• InChI: InChI=1S/C33H37FN4O6/c1-41-24-10-8-23(9-11-24)33(40)37(15-14-36-16-18-44-19-17-36)22-32(39)38-30(26-6-4-5-7-28(26)34)21-29(35-38)27-13-12-25(42-2)20-31(27)43-3/h4-13,20,30H,14-19,21-22H2,1-3H3/t30-/m1/s1
• InChIKey: USRXGNNUGCUGIP-SSEXGKCCSA-N
• XLogP: 4.00
• TPSA: 93.14 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.68
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide?

The IUPAC name of N-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide (CID 98344384) is N-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide.

What is the SMILES notation for N-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide?

The canonical SMILES for N-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide is COc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N2N=C(c3ccc(OC)cc3OC)C[C@@H]2c2ccccc2F)cc1.

What is the InChIKey of N-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide?

The InChIKey is USRXGNNUGCUGIP-SSEXGKCCSA-N. The full InChI is InChI=1S/C33H37FN4O6/c1-41-24-10-8-23(9-11-24)33(40)37(15-14-36-16-18-44-19-17-36)22-32(39)38-30(26-6-4-5-7-28(26)34)21-29(35-38)27-13-12-25(42-2)20-31(27)43-3/h4-13,20,30H,14-19,21-22H2,1-3H3/t30-/m1/s1.

What are the key properties of N-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide?

N-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 604.68 g/mol, XLogP of 4.00, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3R)-5-(2,4-dimethoxyphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 98344384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).