5-(4-chloro-1-cyclopentylpyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;5-(1-cyclopentyl-4-fluoropyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-(1-cyclopentyl-4-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2-thiazol-5-yl)-7H-pyrazolo[5,4-d]pyrimidin-6-one;5-(1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole

C84H89ClFN31O7S — CID 158692826

About 5-(4-chloro-1-cyclopentylpyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;5-(1-cyclopentyl-4-fluoropyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-(1-cyclopentyl-4-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2-thiazol-5-yl)-7H-pyrazolo[5,4-d]pyrimidin-6-one;5-(1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole

5-(4-chloro-1-cyclopentylpyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;5-(1-cyclopentyl-4-fluoropyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-(1-cyclopentyl-4-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2-thiazol-5-yl)-7H-pyrazolo[5,4-d]pyrimidin-6-one;5-(1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole (PubChem CID 158692826) has the molecular formula C84H89ClFN31O7S and a molecular weight of 1731.36 g/mol. Its IUPAC name is 5-(4-chloro-1-cyclopentylpyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;5-(1-cyclopentyl-4-fluoropyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-(1-cyclopentyl-4-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2-thiazol-5-yl)-7H-pyrazolo[5,4-d]pyrimidin-6-one;5-(1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole.

Molecular Properties

• Compound Name: 5-(4-chloro-1-cyclopentylpyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;5-(1-cyclopentyl-4-fluoropyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-(1-cyclopentyl-4-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2-thiazol-5-yl)-7H-pyrazolo[5,4-d]pyrimidin-6-one;5-(1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole
• PubChem CID: 158692826
• Molecular Formula: C84H89ClFN31O7S
• Molecular Weight: 1731.36 g/mol
• Exact Mass: 1729.70
• IUPAC Name: 5-(4-chloro-1-cyclopentylpyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;5-(1-cyclopentyl-4-fluoropyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-(1-cyclopentyl-4-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2-thiazol-5-yl)-7H-pyrazolo[5,4-d]pyrimidin-6-one;5-(1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole
• SMILES: Cc1cc(-c2nn(C3CCCC3)c3[nH]c(=O)ncc23)sn1.Cc1cc(-c2nn(C3CCCC3)c3ncnc(Cl)c23)on1.Cc1cc(-c2nn(C3CCCC3)c3ncnc(F)c23)on1.Cc1cc(-c2nn(C3CCCC3)c3ncncc23)on1.Cc1cnoc1-c1nn(C2CCCC2)c2ncnc(C)c12.Cc1noc(-c2nn(C3CCCC3)c3nc[nH]c(=O)c23)n1
• InChI: InChI=1S/C15H17N5O.C14H14ClN5O.C14H14FN5O.C14H15N5OS.C14H15N5O.C13H14N6O2/c1-9-7-18-21-14(9)13-12-10(2)16-8-17-15(12)20(19-13)11-5-3-4-6-11;2*1-8-6-10(21-19-8)12-11-13(15)16-7-17-14(11)20(18-12)9-4-2-3-5-9;1-8-6-11(21-18-8)12-10-7-15-14(20)16-13(10)19(17-12)9-4-2-3-5-9;1-9-6-12(20-18-9)13-11-7-15-8-16-14(11)19(17-13)10-4-2-3-5-10;1-7-16-13(21-18-7)10-9-11(14-6-15-12(9)20)19(17-10)8-4-2-3-5-8/h7-8,11H,3-6H2,1-2H3;2*6-7,9H,2-5H2,1H3;6-7,9H,2-5H2,1H3,(H,15,16,20);6-8,10H,2-5H2,1H3;6,8H,2-5H2,1H3,(H,14,15,20)
• InChIKey: IGOKEPSFYVHCBE-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 457.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 37
• Rotatable Bonds: 12
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1731.36
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1-cyclopentylpyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;5-(1-cyclopentyl-4-fluoropyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-(1-cyclopentyl-4-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2-thiazol-5-yl)-7H-pyrazolo[5,4-d]pyrimidin-6-one;5-(1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole?

The IUPAC name of 5-(4-chloro-1-cyclopentylpyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;5-(1-cyclopentyl-4-fluoropyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-(1-cyclopentyl-4-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2-thiazol-5-yl)-7H-pyrazolo[5,4-d]pyrimidin-6-one;5-(1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole (CID 158692826) is 5-(4-chloro-1-cyclopentylpyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;5-(1-cyclopentyl-4-fluoropyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-(1-cyclopentyl-4-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2-thiazol-5-yl)-7H-pyrazolo[5,4-d]pyrimidin-6-one;5-(1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole.

What is the SMILES notation for 5-(4-chloro-1-cyclopentylpyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;5-(1-cyclopentyl-4-fluoropyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-(1-cyclopentyl-4-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2-thiazol-5-yl)-7H-pyrazolo[5,4-d]pyrimidin-6-one;5-(1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole?

The canonical SMILES for 5-(4-chloro-1-cyclopentylpyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;5-(1-cyclopentyl-4-fluoropyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-(1-cyclopentyl-4-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2-thiazol-5-yl)-7H-pyrazolo[5,4-d]pyrimidin-6-one;5-(1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole is Cc1cc(-c2nn(C3CCCC3)c3[nH]c(=O)ncc23)sn1.Cc1cc(-c2nn(C3CCCC3)c3ncnc(Cl)c23)on1.Cc1cc(-c2nn(C3CCCC3)c3ncnc(F)c23)on1.Cc1cc(-c2nn(C3CCCC3)c3ncncc23)on1.Cc1cnoc1-c1nn(C2CCCC2)c2ncnc(C)c12.Cc1noc(-c2nn(C3CCCC3)c3nc[nH]c(=O)c23)n1.

What is the InChIKey of 5-(4-chloro-1-cyclopentylpyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;5-(1-cyclopentyl-4-fluoropyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-(1-cyclopentyl-4-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2-thiazol-5-yl)-7H-pyrazolo[5,4-d]pyrimidin-6-one;5-(1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole?

The InChIKey is IGOKEPSFYVHCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O.C14H14ClN5O.C14H14FN5O.C14H15N5OS.C14H15N5O.C13H14N6O2/c1-9-7-18-21-14(9)13-12-10(2)16-8-17-15(12)20(19-13)11-5-3-4-6-11;2*1-8-6-10(21-19-8)12-11-13(15)16-7-17-14(11)20(18-12)9-4-2-3-5-9;1-8-6-11(21-18-8)12-10-7-15-14(20)16-13(10)19(17-12)9-4-2-3-5-9;1-9-6-12(20-18-9)13-11-7-15-8-16-14(11)19(17-13)10-4-2-3-5-10;1-7-16-13(21-18-7)10-9-11(14-6-15-12(9)20)19(17-10)8-4-2-3-5-8/h7-8,11H,3-6H2,1-2H3;2*6-7,9H,2-5H2,1H3;6-7,9H,2-5H2,1H3,(H,15,16,20);6-8,10H,2-5H2,1H3;6,8H,2-5H2,1H3,(H,14,15,20).

What are the key properties of 5-(4-chloro-1-cyclopentylpyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;5-(1-cyclopentyl-4-fluoropyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-(1-cyclopentyl-4-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2-thiazol-5-yl)-7H-pyrazolo[5,4-d]pyrimidin-6-one;5-(1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole?

5-(4-chloro-1-cyclopentylpyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;5-(1-cyclopentyl-4-fluoropyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-(1-cyclopentyl-4-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2-thiazol-5-yl)-7H-pyrazolo[5,4-d]pyrimidin-6-one;5-(1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole has a molecular weight of 1731.36 g/mol, XLogP of 16.98, 12 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chloro-1-cyclopentylpyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;5-(1-cyclopentyl-4-fluoropyrazolo[5,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;5-(1-cyclopentyl-4-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-methyl-1,2-oxazole;1-cyclopentyl-3-(3-methyl-1,2-thiazol-5-yl)-7H-pyrazolo[5,4-d]pyrimidin-6-one;5-(1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-methyl-1,2-oxazole is sourced from PubChem (CID 158692826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).