4-fluorocyclohexan-1-ol;4-fluorocyclohexan-1-one;(4-fluorocyclohexyl) methanesulfonate;bis(1-(4-fluorocyclohexyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine

C70H87F5N24O5S — CID 167639993

About 4-fluorocyclohexan-1-ol;4-fluorocyclohexan-1-one;(4-fluorocyclohexyl) methanesulfonate;bis(1-(4-fluorocyclohexyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine

4-fluorocyclohexan-1-ol;4-fluorocyclohexan-1-one;(4-fluorocyclohexyl) methanesulfonate;bis(1-(4-fluorocyclohexyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 167639993) has the molecular formula C70H87F5N24O5S and a molecular weight of 1471.69 g/mol. Its IUPAC name is 4-fluorocyclohexan-1-ol;4-fluorocyclohexan-1-one;(4-fluorocyclohexyl) methanesulfonate;bis(1-(4-fluorocyclohexyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

• Compound Name: 4-fluorocyclohexan-1-ol;4-fluorocyclohexan-1-one;(4-fluorocyclohexyl) methanesulfonate;bis(1-(4-fluorocyclohexyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
• PubChem CID: 167639993
• Molecular Formula: C70H87F5N24O5S
• Molecular Weight: 1471.69 g/mol
• Exact Mass: 1470.69
• IUPAC Name: 4-fluorocyclohexan-1-ol;4-fluorocyclohexan-1-one;(4-fluorocyclohexyl) methanesulfonate;bis(1-(4-fluorocyclohexyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
• SMILES: CS(=O)(=O)OC1CCC(F)CC1.Cc1cc2ncnn2cc1Nc1ncc2c(C)[nH]nc2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCC(F)CC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCC(F)CC3)c2n1.O=C1CCC(F)CC1.OC1CCC(F)CC1
• InChI: InChI=1S/2C19H21FN8.C13H12N8.C7H13FO3S.C6H11FO.C6H9FO/c2*1-11-7-17-22-10-23-27(17)9-16(11)24-19-21-8-15-12(2)26-28(18(15)25-19)14-5-3-13(20)4-6-14;1-7-3-11-15-6-16-21(11)5-10(7)17-13-14-4-9-8(2)19-20-12(9)18-13;1-12(9,10)11-7-4-2-6(8)3-5-7;2*7-5-1-3-6(8)4-2-5/h2*7-10,13-14H,3-6H2,1-2H3,(H,21,24,25);3-6H,1-2H3,(H2,14,17,18,19,20);6-7H,2-5H2,1H3;5-6,8H,1-4H2;5H,1-4H2
• InChIKey: PAORLJNSGQQILZ-UHFFFAOYSA-N
• XLogP: 13.09
• TPSA: 348.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 10
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1471.69
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-fluorocyclohexan-1-ol;4-fluorocyclohexan-1-one;(4-fluorocyclohexyl) methanesulfonate;bis(1-(4-fluorocyclohexyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine?

The IUPAC name of 4-fluorocyclohexan-1-ol;4-fluorocyclohexan-1-one;(4-fluorocyclohexyl) methanesulfonate;bis(1-(4-fluorocyclohexyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine (CID 167639993) is 4-fluorocyclohexan-1-ol;4-fluorocyclohexan-1-one;(4-fluorocyclohexyl) methanesulfonate;bis(1-(4-fluorocyclohexyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine.

What is the SMILES notation for 4-fluorocyclohexan-1-ol;4-fluorocyclohexan-1-one;(4-fluorocyclohexyl) methanesulfonate;bis(1-(4-fluorocyclohexyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine?

The canonical SMILES for 4-fluorocyclohexan-1-ol;4-fluorocyclohexan-1-one;(4-fluorocyclohexyl) methanesulfonate;bis(1-(4-fluorocyclohexyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine is CS(=O)(=O)OC1CCC(F)CC1.Cc1cc2ncnn2cc1Nc1ncc2c(C)[nH]nc2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCC(F)CC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCC(F)CC3)c2n1.O=C1CCC(F)CC1.OC1CCC(F)CC1.

What is the InChIKey of 4-fluorocyclohexan-1-ol;4-fluorocyclohexan-1-one;(4-fluorocyclohexyl) methanesulfonate;bis(1-(4-fluorocyclohexyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine?

The InChIKey is PAORLJNSGQQILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H21FN8.C13H12N8.C7H13FO3S.C6H11FO.C6H9FO/c2*1-11-7-17-22-10-23-27(17)9-16(11)24-19-21-8-15-12(2)26-28(18(15)25-19)14-5-3-13(20)4-6-14;1-7-3-11-15-6-16-21(11)5-10(7)17-13-14-4-9-8(2)19-20-12(9)18-13;1-12(9,10)11-7-4-2-6(8)3-5-7;2*7-5-1-3-6(8)4-2-5/h2*7-10,13-14H,3-6H2,1-2H3,(H,21,24,25);3-6H,1-2H3,(H2,14,17,18,19,20);6-7H,2-5H2,1H3;5-6,8H,1-4H2;5H,1-4H2.

What are the key properties of 4-fluorocyclohexan-1-ol;4-fluorocyclohexan-1-one;(4-fluorocyclohexyl) methanesulfonate;bis(1-(4-fluorocyclohexyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine?

4-fluorocyclohexan-1-ol;4-fluorocyclohexan-1-one;(4-fluorocyclohexyl) methanesulfonate;bis(1-(4-fluorocyclohexyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 1471.69 g/mol, XLogP of 13.09, 10 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluorocyclohexan-1-ol;4-fluorocyclohexan-1-one;(4-fluorocyclohexyl) methanesulfonate;bis(1-(4-fluorocyclohexyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 167639993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).