3-cyclopentyl-3-[3-hydroxy-5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile

C68H72N24O8 — CID 159274422

About 3-cyclopentyl-3-[3-hydroxy-5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile

3-cyclopentyl-3-[3-hydroxy-5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile (PubChem CID 159274422) has the molecular formula C68H72N24O8 and a molecular weight of 1353.48 g/mol. Its IUPAC name is 3-cyclopentyl-3-[3-hydroxy-5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile.

Molecular Properties

• Compound Name: 3-cyclopentyl-3-[3-hydroxy-5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
• PubChem CID: 159274422
• Molecular Formula: C68H72N24O8
• Molecular Weight: 1353.48 g/mol
• Exact Mass: 1352.60
• IUPAC Name: 3-cyclopentyl-3-[3-hydroxy-5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
• SMILES: N#CCC(C1CCCC1)n1[nH]c(=O)c(-c2ncnc3[nH]ccc23)c1O.N#CCC(C1CCCC1)n1[nH]cc(-c2[nH]c(=O)nc3[nH]ccc23)c1=O.N#CCC(C1CCCC1)n1[nH]cc(-c2ncnc3[nH]c(O)cc23)c1=O.N#CCC(C1CCCC1)n1[nH]cc(-c2ncnc3[nH]cc(O)c23)c1=O
• InChI: InChI=1S/4C17H18N6O2/c18-7-5-13(10-3-1-2-4-10)23-16(24)12(9-20-23)14-11-6-8-19-15(11)22-17(25)21-14;18-7-5-12(10-3-1-2-4-10)23-17(25)13(16(24)22-23)14-11-6-8-19-15(11)21-9-20-14;18-6-5-13(10-3-1-2-4-10)23-17(25)12(8-21-23)15-11-7-14(24)22-16(11)20-9-19-15;18-6-5-12(10-3-1-2-4-10)23-17(25)11(7-22-23)15-14-13(24)8-19-16(14)21-9-20-15/h6,8-10,13,20H,1-5H2,(H2,19,21,22,25);6,8-10,12,25H,1-5H2,(H,22,24)(H,19,20,21);7-10,13,21,24H,1-5H2,(H,19,20,22);7-10,12,22,24H,1-5H2,(H,19,20,21)
• InChIKey: FOSKGUYEOUZPRU-UHFFFAOYSA-N
• XLogP: 9.45
• TPSA: 493.26 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1353.48
LogP ≤ 5	9.45
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-[3-hydroxy-5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile?

The IUPAC name of 3-cyclopentyl-3-[3-hydroxy-5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile (CID 159274422) is 3-cyclopentyl-3-[3-hydroxy-5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile.

What is the SMILES notation for 3-cyclopentyl-3-[3-hydroxy-5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile?

The canonical SMILES for 3-cyclopentyl-3-[3-hydroxy-5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile is N#CCC(C1CCCC1)n1[nH]c(=O)c(-c2ncnc3[nH]ccc23)c1O.N#CCC(C1CCCC1)n1[nH]cc(-c2[nH]c(=O)nc3[nH]ccc23)c1=O.N#CCC(C1CCCC1)n1[nH]cc(-c2ncnc3[nH]c(O)cc23)c1=O.N#CCC(C1CCCC1)n1[nH]cc(-c2ncnc3[nH]cc(O)c23)c1=O.

What is the InChIKey of 3-cyclopentyl-3-[3-hydroxy-5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile?

The InChIKey is FOSKGUYEOUZPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C17H18N6O2/c18-7-5-13(10-3-1-2-4-10)23-16(24)12(9-20-23)14-11-6-8-19-15(11)22-17(25)21-14;18-7-5-12(10-3-1-2-4-10)23-17(25)13(16(24)22-23)14-11-6-8-19-15(11)21-9-20-14;18-6-5-13(10-3-1-2-4-10)23-17(25)12(8-21-23)15-11-7-14(24)22-16(11)20-9-19-15;18-6-5-12(10-3-1-2-4-10)23-17(25)11(7-22-23)15-14-13(24)8-19-16(14)21-9-20-15/h6,8-10,13,20H,1-5H2,(H2,19,21,22,25);6,8-10,12,25H,1-5H2,(H,22,24)(H,19,20,21);7-10,13,21,24H,1-5H2,(H,19,20,22);7-10,12,22,24H,1-5H2,(H,19,20,21).

What are the key properties of 3-cyclopentyl-3-[3-hydroxy-5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile?

3-cyclopentyl-3-[3-hydroxy-5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile has a molecular weight of 1353.48 g/mol, XLogP of 9.45, 16 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-3-[3-hydroxy-5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile is sourced from PubChem (CID 159274422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).