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

C85H90N30O5 — CID 157499748

About 3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[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)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile (PubChem CID 157499748) has the molecular formula C85H90N30O5 and a molecular weight of 1611.86 g/mol. Its IUPAC name is 3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile.

Molecular Properties

• Compound Name: 3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
• PubChem CID: 157499748
• Molecular Formula: C85H90N30O5
• Molecular Weight: 1611.86 g/mol
• Exact Mass: 1610.77
• IUPAC Name: 3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
• SMILES: N#CCC(C1CCCC1)n1[nH]cc(-c2ncnc3[nH]ccc23)c1=O.N#CCC(C1CCCC1)n1cc(-c2[nH]c(=O)nc3[nH]ccc23)cn1.N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]c(O)cc23)cn1.N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]cc(O)c23)cn1.N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(=O)[nH]1
• InChI: InChI=1S/5C17H18N6O/c18-7-5-14(11-3-1-2-4-11)23-10-12(9-20-23)15-13-6-8-19-16(13)22-17(24)21-15;18-7-5-14(11-3-1-2-4-11)23-9-13(17(24)22-23)15-12-6-8-19-16(12)21-10-20-15;18-7-5-14(11-3-1-2-4-11)23-17(24)13(9-22-23)15-12-6-8-19-16(12)21-10-20-15;18-6-5-14(11-3-1-2-4-11)23-9-12(8-21-23)16-13-7-15(24)22-17(13)20-10-19-16;18-6-5-13(11-3-1-2-4-11)23-9-12(7-22-23)16-15-14(24)8-19-17(15)21-10-20-16/h6,8-11,14H,1-5H2,(H2,19,21,22,24);6,8-11,14H,1-5H2,(H,22,24)(H,19,20,21);6,8-11,14,22H,1-5H2,(H,19,20,21);7-11,14,24H,1-5H2,(H,19,20,22);7-11,13,24H,1-5H2,(H,19,20,21)
• InChIKey: VYJNHZJVQROXPO-UHFFFAOYSA-N
• XLogP: 14.62
• TPSA: 516.27 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1611.86
LogP ≤ 5	14.62
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

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

The IUPAC name of 3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile (CID 157499748) is 3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile.

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

The canonical SMILES for 3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile is N#CCC(C1CCCC1)n1[nH]cc(-c2ncnc3[nH]ccc23)c1=O.N#CCC(C1CCCC1)n1cc(-c2[nH]c(=O)nc3[nH]ccc23)cn1.N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]c(O)cc23)cn1.N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]cc(O)c23)cn1.N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)c(=O)[nH]1.

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

The InChIKey is VYJNHZJVQROXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/5C17H18N6O/c18-7-5-14(11-3-1-2-4-11)23-10-12(9-20-23)15-13-6-8-19-16(13)22-17(24)21-15;18-7-5-14(11-3-1-2-4-11)23-9-13(17(24)22-23)15-12-6-8-19-16(12)21-10-20-15;18-7-5-14(11-3-1-2-4-11)23-17(24)13(9-22-23)15-12-6-8-19-16(12)21-10-20-15;18-6-5-14(11-3-1-2-4-11)23-9-12(8-21-23)16-13-7-15(24)22-17(13)20-10-19-16;18-6-5-13(11-3-1-2-4-11)23-9-12(7-22-23)16-15-14(24)8-19-17(15)21-10-20-16/h6,8-11,14H,1-5H2,(H2,19,21,22,24);6,8-11,14H,1-5H2,(H,22,24)(H,19,20,21);6,8-11,14,22H,1-5H2,(H,19,20,21);7-11,14,24H,1-5H2,(H,19,20,22);7-11,13,24H,1-5H2,(H,19,20,21).

What are the key properties of 3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[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)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile has a molecular weight of 1611.86 g/mol, XLogP of 14.62, 20 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile is sourced from PubChem (CID 157499748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).