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

C31H37N11O2 — CID 174206282

About N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-[6-[ethyl(methyl)amino]pyrimidin-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-[ethyl(methyl)amino]pyrimidin-4-yl]oxypyrrolidin-1-yl]acetamide (PubChem CID 174206282) has the molecular formula C31H37N11O2 and a molecular weight of 595.71 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-[ethyl(methyl)amino]pyrimidin-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-[ethyl(methyl)amino]pyrimidin-4-yl]oxypyrrolidin-1-yl]acetamide
• PubChem CID: 174206282
• Molecular Formula: C31H37N11O2
• Molecular Weight: 595.71 g/mol
• Exact Mass: 595.31
• IUPAC Name: N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-[6-[ethyl(methyl)amino]pyrimidin-4-yl]oxypyrrolidin-1-yl]acetamide
• SMILES: CCN(C)c1cc(OC2CCN(CC(=O)Nc3cccc4c(-c5nc(Nc6cc(C)n(C)n6)ncc5C)c[nH]c34)C2)ncn1
• InChI: InChI=1S/C31H37N11O2/c1-6-40(4)26-13-28(35-18-34-26)44-21-10-11-42(16-21)17-27(43)36-24-9-7-8-22-23(15-32-30(22)24)29-19(2)14-33-31(38-29)37-25-12-20(3)41(5)39-25/h7-9,12-15,18,21,32H,6,10-11,16-17H2,1-5H3,(H,36,43)(H,33,37,38,39)
• InChIKey: TZKDCPWWPCOALI-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 142.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.71
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

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-[ethyl(methyl)amino]pyrimidin-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-[ethyl(methyl)amino]pyrimidin-4-yl]oxypyrrolidin-1-yl]acetamide (CID 174206282) is N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-[3-[6-[ethyl(methyl)amino]pyrimidin-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-[ethyl(methyl)amino]pyrimidin-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-[ethyl(methyl)amino]pyrimidin-4-yl]oxypyrrolidin-1-yl]acetamide is CCN(C)c1cc(OC2CCN(CC(=O)Nc3cccc4c(-c5nc(Nc6cc(C)n(C)n6)ncc5C)c[nH]c34)C2)ncn1.

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-[ethyl(methyl)amino]pyrimidin-4-yl]oxypyrrolidin-1-yl]acetamide?

The InChIKey is TZKDCPWWPCOALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N11O2/c1-6-40(4)26-13-28(35-18-34-26)44-21-10-11-42(16-21)17-27(43)36-24-9-7-8-22-23(15-32-30(22)24)29-19(2)14-33-31(38-29)37-25-12-20(3)41(5)39-25/h7-9,12-15,18,21,32H,6,10-11,16-17H2,1-5H3,(H,36,43)(H,33,37,38,39).

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-[ethyl(methyl)amino]pyrimidin-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-[ethyl(methyl)amino]pyrimidin-4-yl]oxypyrrolidin-1-yl]acetamide has a molecular weight of 595.71 g/mol, XLogP of 4.06, 10 rotatable bonds, 3 hydrogen bond donors, and 11 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-[ethyl(methyl)amino]pyrimidin-4-yl]oxypyrrolidin-1-yl]acetamide is sourced from PubChem (CID 174206282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).