N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide

C32H37N11O3 — CID 174202403

About N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide

N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide (PubChem CID 174202403) has the molecular formula C32H37N11O3 and a molecular weight of 623.72 g/mol. Its IUPAC name is N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide
• PubChem CID: 174202403
• Molecular Formula: C32H37N11O3
• Molecular Weight: 623.72 g/mol
• Exact Mass: 623.31
• IUPAC Name: N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide
• SMILES: Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(=O)CN3CCC(Oc4cc(N5CCOCC5)ncn4)C3)cccc12
• InChI: InChI=1S/C32H37N11O3/c1-20-15-34-32(38-26-13-21(2)41(3)40-26)39-30(20)24-16-33-31-23(24)5-4-6-25(31)37-28(44)18-42-8-7-22(17-42)46-29-14-27(35-19-36-29)43-9-11-45-12-10-43/h4-6,13-16,19,22,33H,7-12,17-18H2,1-3H3,(H,37,44)(H,34,38,39,40)
• InChIKey: IJOVFNJCQIEMAC-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 151.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.72
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide?

The IUPAC name of N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide (CID 174202403) is N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide.

What is the SMILES notation for N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide?

The canonical SMILES for N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide is Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(=O)CN3CCC(Oc4cc(N5CCOCC5)ncn4)C3)cccc12.

What is the InChIKey of N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide?

The InChIKey is IJOVFNJCQIEMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N11O3/c1-20-15-34-32(38-26-13-21(2)41(3)40-26)39-30(20)24-16-33-31-23(24)5-4-6-25(31)37-28(44)18-42-8-7-22(17-42)46-29-14-27(35-19-36-29)43-9-11-45-12-10-43/h4-6,13-16,19,22,33H,7-12,17-18H2,1-3H3,(H,37,44)(H,34,38,39,40).

What are the key properties of N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide?

N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide has a molecular weight of 623.72 g/mol, XLogP of 3.44, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 174202403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).