N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-pyrrolidin-1-ylacetamide;6-methoxy-N,N-dimethylpyrimidin-4-amine

C31H39N11O2 — CID 170715297

About N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-pyrrolidin-1-ylacetamide;6-methoxy-N,N-dimethylpyrimidin-4-amine

N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-pyrrolidin-1-ylacetamide;6-methoxy-N,N-dimethylpyrimidin-4-amine (PubChem CID 170715297) has the molecular formula C31H39N11O2 and a molecular weight of 597.73 g/mol. Its IUPAC name is N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-pyrrolidin-1-ylacetamide;6-methoxy-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-pyrrolidin-1-ylacetamide;6-methoxy-N,N-dimethylpyrimidin-4-amine
• PubChem CID: 170715297
• Molecular Formula: C31H39N11O2
• Molecular Weight: 597.73 g/mol
• Exact Mass: 597.33
• IUPAC Name: N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-pyrrolidin-1-ylacetamide;6-methoxy-N,N-dimethylpyrimidin-4-amine
• SMILES: COc1cc(N(C)C)ncn1.Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(=O)CN3CCCC3)cccc12
• InChI: InChI=1S/C24H28N8O.C7H11N3O/c1-15-12-26-24(28-20-11-16(2)31(3)30-20)29-22(15)18-13-25-23-17(18)7-6-8-19(23)27-21(33)14-32-9-4-5-10-32;1-10(2)6-4-7(11-3)9-5-8-6/h6-8,11-13,25H,4-5,9-10,14H2,1-3H3,(H,27,33)(H,26,28,29,30);4-5H,1-3H3
• InChIKey: OSMJLEYZPOTIAP-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 142.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.73
LogP ≤ 5	4.30
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-pyrrolidin-1-ylacetamide;6-methoxy-N,N-dimethylpyrimidin-4-amine?

The IUPAC name of N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-pyrrolidin-1-ylacetamide;6-methoxy-N,N-dimethylpyrimidin-4-amine (CID 170715297) is N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-pyrrolidin-1-ylacetamide;6-methoxy-N,N-dimethylpyrimidin-4-amine.

What is the SMILES notation for N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-pyrrolidin-1-ylacetamide;6-methoxy-N,N-dimethylpyrimidin-4-amine?

The canonical SMILES for N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-pyrrolidin-1-ylacetamide;6-methoxy-N,N-dimethylpyrimidin-4-amine is COc1cc(N(C)C)ncn1.Cc1cnc(Nc2cc(C)n(C)n2)nc1-c1c[nH]c2c(NC(=O)CN3CCCC3)cccc12.

What is the InChIKey of N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-pyrrolidin-1-ylacetamide;6-methoxy-N,N-dimethylpyrimidin-4-amine?

The InChIKey is OSMJLEYZPOTIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O.C7H11N3O/c1-15-12-26-24(28-20-11-16(2)31(3)30-20)29-22(15)18-13-25-23-17(18)7-6-8-19(23)27-21(33)14-32-9-4-5-10-32;1-10(2)6-4-7(11-3)9-5-8-6/h6-8,11-13,25H,4-5,9-10,14H2,1-3H3,(H,27,33)(H,26,28,29,30);4-5H,1-3H3.

What are the key properties of N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-pyrrolidin-1-ylacetamide;6-methoxy-N,N-dimethylpyrimidin-4-amine?

N-[3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]-2-pyrrolidin-1-ylacetamide;6-methoxy-N,N-dimethylpyrimidin-4-amine has a molecular weight of 597.73 g/mol, XLogP of 4.30, 8 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-pyrrolidin-1-ylacetamide;6-methoxy-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 170715297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).