2-[3-[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide

C32H37N11O2 — CID 174162836

About 2-[3-[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide

2-[3-[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide (PubChem CID 174162836) has the molecular formula C32H37N11O2 and a molecular weight of 607.72 g/mol. Its IUPAC name is 2-[3-[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide
• PubChem CID: 174162836
• Molecular Formula: C32H37N11O2
• Molecular Weight: 607.72 g/mol
• Exact Mass: 607.31
• IUPAC Name: 2-[3-[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide
• SMILES: Cc1cnc(OC2CCN(CC(=O)Nc3cccc4c(-c5nc(Nc6cc(C)n(C)n6)ncc5C)c[nH]c34)C2)nc1NC1CC1
• InChI: InChI=1S/C32H37N11O2/c1-18-13-34-31(38-26-12-20(3)42(4)41-26)39-28(18)24-15-33-29-23(24)6-5-7-25(29)37-27(44)17-43-11-10-22(16-43)45-32-35-14-19(2)30(40-32)36-21-8-9-21/h5-7,12-15,21-22,33H,8-11,16-17H2,1-4H3,(H,37,44)(H,35,36,40)(H,34,38,39,41)
• InChIKey: RMSKZJZBGFNKTG-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 150.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	607.72
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide?

The IUPAC name of 2-[3-[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide (CID 174162836) is 2-[3-[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide.

What is the SMILES notation for 2-[3-[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide?

The canonical SMILES for 2-[3-[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide is Cc1cnc(OC2CCN(CC(=O)Nc3cccc4c(-c5nc(Nc6cc(C)n(C)n6)ncc5C)c[nH]c34)C2)nc1NC1CC1.

What is the InChIKey of 2-[3-[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide?

The InChIKey is RMSKZJZBGFNKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N11O2/c1-18-13-34-31(38-26-12-20(3)42(4)41-26)39-28(18)24-15-33-29-23(24)6-5-7-25(29)37-27(44)17-43-11-10-22(16-43)45-32-35-14-19(2)30(40-32)36-21-8-9-21/h5-7,12-15,21-22,33H,8-11,16-17H2,1-4H3,(H,37,44)(H,35,36,40)(H,34,38,39,41).

What are the key properties of 2-[3-[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide?

2-[3-[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide has a molecular weight of 607.72 g/mol, XLogP of 4.48, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]oxypyrrolidin-1-yl]-N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]acetamide is sourced from PubChem (CID 174162836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).