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

About 6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-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;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;oxan-4-ylhydrazine (PubChem CID 167698946) has the molecular formula C47H57Cl3N20O4 and a molecular weight of 1072.47 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;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-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;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;oxan-4-ylhydrazine
PubChem CID	167698946
Molecular Formula	C47H57Cl3N20O4
Molecular Weight	1072.47 g/mol
Exact Mass	1070.39
IUPAC Name	6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;oxan-4-ylhydrazine
SMILES	CC(=O)c1cnc(Cl)nc1Cl.Cc1cc2ncnn2cc1N.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOCC3)c2n1.Cc1nn(C2CCOCC2)c2nc(Cl)ncc12.NNC1CCOCC1
InChI	InChI=1S/C18H20N8O.C11H13ClN4O.C7H8N4.C6H4Cl2N2O.C5H12N2O/c1-11-7-16-20-10-21-25(16)9-15(11)22-18-19-8-14-12(2)24-26(17(14)23-18)13-3-5-27-6-4-13;1-7-9-6-13-11(12)14-10(9)16(15-7)8-2-4-17-5-3-8;1-5-2-7-9-4-10-11(7)3-6(5)8;1-3(11)4-2-9-6(8)10-5(4)7;6-7-5-1-3-8-4-2-5/h7-10,13H,3-6H2,1-2H3,(H,19,22,23);6,8H,2-5H2,1H3;2-4H,8H2,1H3;2H,1H3;5,7H,1-4,6H2
InChIKey	YBYFEQRNYBQTTA-UHFFFAOYSA-N
XLogP	6.96
TPSA	294.22 Å²
H-Bond Donors	4
H-Bond Acceptors	24
Rotatable Bonds	6
Heavy Atoms	74
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1072.47
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Related Compounds

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;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-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;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;oxan-4-ylhydrazine (CID 167698946) is 6-chloro-3-methyl-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidine;1-(2,4-dichloropyrimidin-5-yl)ethanone;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-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;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-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;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;oxan-4-ylhydrazine is CC(=O)c1cnc(Cl)nc1Cl.Cc1cc2ncnn2cc1N.Cc1cc2ncnn2cc1Nc1ncc2c(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;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;oxan-4-ylhydrazine?

The InChIKey is YBYFEQRNYBQTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O.C11H13ClN4O.C7H8N4.C6H4Cl2N2O.C5H12N2O/c1-11-7-16-20-10-21-25(16)9-15(11)22-18-19-8-14-12(2)24-26(17(14)23-18)13-3-5-27-6-4-13;1-7-9-6-13-11(12)14-10(9)16(15-7)8-2-4-17-5-3-8;1-5-2-7-9-4-10-11(7)3-6(5)8;1-3(11)4-2-9-6(8)10-5(4)7;6-7-5-1-3-8-4-2-5/h7-10,13H,3-6H2,1-2H3,(H,19,22,23);6,8H,2-5H2,1H3;2-4H,8H2,1H3;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;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;oxan-4-ylhydrazine?

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;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine;7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;oxan-4-ylhydrazine is sourced from PubChem (CID 167698946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).