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

C32H43N11O2 — CID 170715338

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

3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine;4-methoxy-N,N-dimethylpyrimidin-2-amine;2-pyrrolidin-1-ylacetaldehyde (PubChem CID 170715338) has the molecular formula C32H43N11O2 and a molecular weight of 613.77 g/mol. Its IUPAC name is 3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine;4-methoxy-N,N-dimethylpyrimidin-2-amine;2-pyrrolidin-1-ylacetaldehyde.

Molecular Properties

• Compound Name: 3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine;4-methoxy-N,N-dimethylpyrimidin-2-amine;2-pyrrolidin-1-ylacetaldehyde
• PubChem CID: 170715338
• Molecular Formula: C32H43N11O2
• Molecular Weight: 613.77 g/mol
• Exact Mass: 613.36
• IUPAC Name: 3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine;4-methoxy-N,N-dimethylpyrimidin-2-amine;2-pyrrolidin-1-ylacetaldehyde
• SMILES: CNc1cccc2c(-c3nc(Nc4cc(C)n(C)n4)ncc3C)c[nH]c12.COc1ccnc(N(C)C)n1.O=CCN1CCCC1
• InChI: InChI=1S/C19H21N7.C7H11N3O.C6H11NO/c1-11-9-22-19(23-16-8-12(2)26(4)25-16)24-17(11)14-10-21-18-13(14)6-5-7-15(18)20-3;1-10(2)7-8-5-4-6(9-7)11-3;8-6-5-7-3-1-2-4-7/h5-10,20-21H,1-4H3,(H,22,23,24,25);4-5H,1-3H3;6H,1-5H2
• InChIKey: QWVDCDSRJCPXJO-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 142.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	613.77
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine;4-methoxy-N,N-dimethylpyrimidin-2-amine;2-pyrrolidin-1-ylacetaldehyde (CID 170715338) is 3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine;4-methoxy-N,N-dimethylpyrimidin-2-amine;2-pyrrolidin-1-ylacetaldehyde.

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

The canonical SMILES for 3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine;4-methoxy-N,N-dimethylpyrimidin-2-amine;2-pyrrolidin-1-ylacetaldehyde is CNc1cccc2c(-c3nc(Nc4cc(C)n(C)n4)ncc3C)c[nH]c12.COc1ccnc(N(C)C)n1.O=CCN1CCCC1.

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

The InChIKey is QWVDCDSRJCPXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7.C7H11N3O.C6H11NO/c1-11-9-22-19(23-16-8-12(2)26(4)25-16)24-17(11)14-10-21-18-13(14)6-5-7-15(18)20-3;1-10(2)7-8-5-4-6(9-7)11-3;8-6-5-7-3-1-2-4-7/h5-10,20-21H,1-4H3,(H,22,23,24,25);4-5H,1-3H3;6H,1-5H2.

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

3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine;4-methoxy-N,N-dimethylpyrimidin-2-amine;2-pyrrolidin-1-ylacetaldehyde has a molecular weight of 613.77 g/mol, XLogP of 4.59, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[(1,5-dimethylpyrazol-3-yl)amino]-5-methylpyrimidin-4-yl]-N-methyl-1H-indol-7-amine;4-methoxy-N,N-dimethylpyrimidin-2-amine;2-pyrrolidin-1-ylacetaldehyde is sourced from PubChem (CID 170715338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).