6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;7-methylimidazo[1,2-a]pyridin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;oxan-4-ylhydrazine

C49H59Cl3N18O4 — CID 167651765

About 6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;7-methylimidazo[1,2-a]pyridin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;oxan-4-ylhydrazine

6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;7-methylimidazo[1,2-a]pyridin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;oxan-4-ylhydrazine (PubChem CID 167651765) has the molecular formula C49H59Cl3N18O4 and a molecular weight of 1070.49 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;7-methylimidazo[1,2-a]pyridin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;oxan-4-ylhydrazine.

Molecular Properties

• Compound Name: 6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;7-methylimidazo[1,2-a]pyridin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;oxan-4-ylhydrazine
• PubChem CID: 167651765
• Molecular Formula: C49H59Cl3N18O4
• Molecular Weight: 1070.49 g/mol
• Exact Mass: 1068.40
• IUPAC Name: 6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;7-methylimidazo[1,2-a]pyridin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;oxan-4-ylhydrazine
• SMILES: CC(=O)c1cnc(Cl)nc1Cl.Cc1cc2nccn2cc1N.Cc1cc2nccn2cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1.Cc1nn(C2CCOCC2)c2nc(Cl)ncc12.NNC1CCOCC1
• InChI: InChI=1S/C19H21N7O.C11H13ClN4O.C8H9N3.C6H4Cl2N2O.C5H12N2O/c1-12-9-17-20-5-6-25(17)11-16(12)22-19-21-10-15-13(2)24-26(18(15)23-19)14-3-7-27-8-4-14;1-7-9-6-13-11(12)14-10(9)16(15-7)8-2-4-17-5-3-8;1-6-4-8-10-2-3-11(8)5-7(6)9;1-3(11)4-2-9-6(8)10-5(4)7;6-7-5-1-3-8-4-2-5/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,21,22,23);6,8H,2-5H2,1H3;2-5H,9H2,1H3;2H,1H3;5,7H,1-4,6H2
• InChIKey: QREHOUYRALRXTI-UHFFFAOYSA-N
• XLogP: 8.17
• TPSA: 268.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1070.49
LogP ≤ 5	8.17
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;7-methylimidazo[1,2-a]pyridin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;oxan-4-ylhydrazine?

The IUPAC name of 6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;7-methylimidazo[1,2-a]pyridin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;oxan-4-ylhydrazine (CID 167651765) is 6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;7-methylimidazo[1,2-a]pyridin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;oxan-4-ylhydrazine.

What is the SMILES notation for 6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;7-methylimidazo[1,2-a]pyridin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;oxan-4-ylhydrazine?

The canonical SMILES for 6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;7-methylimidazo[1,2-a]pyridin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;oxan-4-ylhydrazine is CC(=O)c1cnc(Cl)nc1Cl.Cc1cc2nccn2cc1N.Cc1cc2nccn2cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1.Cc1nn(C2CCOCC2)c2nc(Cl)ncc12.NNC1CCOCC1.

What is the InChIKey of 6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;7-methylimidazo[1,2-a]pyridin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;oxan-4-ylhydrazine?

The InChIKey is QREHOUYRALRXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O.C11H13ClN4O.C8H9N3.C6H4Cl2N2O.C5H12N2O/c1-12-9-17-20-5-6-25(17)11-16(12)22-19-21-10-15-13(2)24-26(18(15)23-19)14-3-7-27-8-4-14;1-7-9-6-13-11(12)14-10(9)16(15-7)8-2-4-17-5-3-8;1-6-4-8-10-2-3-11(8)5-7(6)9;1-3(11)4-2-9-6(8)10-5(4)7;6-7-5-1-3-8-4-2-5/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,21,22,23);6,8H,2-5H2,1H3;2-5H,9H2,1H3;2H,1H3;5,7H,1-4,6H2.

What are the key properties of 6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;7-methylimidazo[1,2-a]pyridin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;oxan-4-ylhydrazine?

6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;7-methylimidazo[1,2-a]pyridin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;oxan-4-ylhydrazine has a molecular weight of 1070.49 g/mol, XLogP of 8.17, 6 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;7-methylimidazo[1,2-a]pyridin-6-amine;3-methyl-N-(7-methylimidazo[1,2-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;oxan-4-ylhydrazine is sourced from PubChem (CID 167651765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).