N-[(8R)-7-[3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-oxoimidazol-1-yl]-4-hexacyclo[4.3.0.01,3.02,7.04,9.05,8]nonanyl]-N-(2-methoxyethyl)acetamide

C32H35FN6O3 — CID 134385371

About N-[(8R)-7-[3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-oxoimidazol-1-yl]-4-hexacyclo[4.3.0.01,3.02,7.04,9.05,8]nonanyl]-N-(2-methoxyethyl)acetamide

N-[(8R)-7-[3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-oxoimidazol-1-yl]-4-hexacyclo[4.3.0.01,3.02,7.04,9.05,8]nonanyl]-N-(2-methoxyethyl)acetamide (PubChem CID 134385371) has the molecular formula C32H35FN6O3 and a molecular weight of 570.67 g/mol. Its IUPAC name is N-[(8R)-7-[3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-oxoimidazol-1-yl]-4-hexacyclo[4.3.0.01,3.02,7.04,9.05,8]nonanyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

• Compound Name: N-[(8R)-7-[3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-oxoimidazol-1-yl]-4-hexacyclo[4.3.0.01,3.02,7.04,9.05,8]nonanyl]-N-(2-methoxyethyl)acetamide
• PubChem CID: 134385371
• Molecular Formula: C32H35FN6O3
• Molecular Weight: 570.67 g/mol
• Exact Mass: 570.28
• IUPAC Name: N-[(8R)-7-[3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-oxoimidazol-1-yl]-4-hexacyclo[4.3.0.01,3.02,7.04,9.05,8]nonanyl]-N-(2-methoxyethyl)acetamide
• SMILES: COCCN(C(C)=O)C12C3C4C1C15C2C1C4(n1ccn(-c2c4c(nn2-c2cc(C)c(F)c(C)c2)CCNC4C)c1=O)C35
• InChI: InChI=1S/C32H35FN6O3/c1-14-12-18(13-15(2)23(14)33)39-28(20-16(3)34-7-6-19(20)35-39)36-8-9-38(29(36)41)32-22-21-25(32)30-24(22)31(21,26(30)27(30)32)37(17(4)40)10-11-42-5/h8-9,12-13,16,21-22,24-27,34H,6-7,10-11H2,1-5H3
• InChIKey: RTTGGGNUJVJCLE-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 86.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.67
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(8R)-7-[3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-oxoimidazol-1-yl]-4-hexacyclo[4.3.0.01,3.02,7.04,9.05,8]nonanyl]-N-(2-methoxyethyl)acetamide?

The IUPAC name of N-[(8R)-7-[3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-oxoimidazol-1-yl]-4-hexacyclo[4.3.0.01,3.02,7.04,9.05,8]nonanyl]-N-(2-methoxyethyl)acetamide (CID 134385371) is N-[(8R)-7-[3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-oxoimidazol-1-yl]-4-hexacyclo[4.3.0.01,3.02,7.04,9.05,8]nonanyl]-N-(2-methoxyethyl)acetamide.

What is the SMILES notation for N-[(8R)-7-[3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-oxoimidazol-1-yl]-4-hexacyclo[4.3.0.01,3.02,7.04,9.05,8]nonanyl]-N-(2-methoxyethyl)acetamide?

The canonical SMILES for N-[(8R)-7-[3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-oxoimidazol-1-yl]-4-hexacyclo[4.3.0.01,3.02,7.04,9.05,8]nonanyl]-N-(2-methoxyethyl)acetamide is COCCN(C(C)=O)C12C3C4C1C15C2C1C4(n1ccn(-c2c4c(nn2-c2cc(C)c(F)c(C)c2)CCNC4C)c1=O)C35.

What is the InChIKey of N-[(8R)-7-[3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-oxoimidazol-1-yl]-4-hexacyclo[4.3.0.01,3.02,7.04,9.05,8]nonanyl]-N-(2-methoxyethyl)acetamide?

The InChIKey is RTTGGGNUJVJCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35FN6O3/c1-14-12-18(13-15(2)23(14)33)39-28(20-16(3)34-7-6-19(20)35-39)36-8-9-38(29(36)41)32-22-21-25(32)30-24(22)31(21,26(30)27(30)32)37(17(4)40)10-11-42-5/h8-9,12-13,16,21-22,24-27,34H,6-7,10-11H2,1-5H3.

What are the key properties of N-[(8R)-7-[3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-oxoimidazol-1-yl]-4-hexacyclo[4.3.0.01,3.02,7.04,9.05,8]nonanyl]-N-(2-methoxyethyl)acetamide?

N-[(8R)-7-[3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-oxoimidazol-1-yl]-4-hexacyclo[4.3.0.01,3.02,7.04,9.05,8]nonanyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 570.67 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(8R)-7-[3-[(4S)-2-(4-fluoro-3,5-dimethylphenyl)-4-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-oxoimidazol-1-yl]-4-hexacyclo[4.3.0.01,3.02,7.04,9.05,8]nonanyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 134385371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).