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

C85H90N30O10 — CID 158198945

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

3-(1,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile (PubChem CID 158198945) has the molecular formula C85H90N30O10 and a molecular weight of 1691.85 g/mol. Its IUPAC name is 3-(1,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile.

Molecular Properties

• Compound Name: 3-(1,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
• PubChem CID: 158198945
• Molecular Formula: C85H90N30O10
• Molecular Weight: 1691.85 g/mol
• Exact Mass: 1690.75
• IUPAC Name: 3-(1,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
• SMILES: N#CCC(C1CCC(O)C1O)n1cc(-c2ncnc3[nH]ccc23)cn1.N#CCC(n1cc(-c2[nH]c(=O)nc3[nH]ccc23)cn1)C1(O)CCCC1.N#CCC(n1cc(-c2ncnc3[nH]c(O)cc23)cn1)C1(O)CCCC1.N#CCC(n1cc(-c2ncnc3[nH]cc(O)c23)cn1)C1(O)CCCC1.N#CCC(n1cc(-c2ncnc3[nH]ccc23)cn1)C1(O)CCC(O)C1
• InChI: InChI=1S/5C17H18N6O2/c18-5-2-14(17(25)4-1-12(24)7-17)23-9-11(8-22-23)15-13-3-6-19-16(13)21-10-20-15;18-5-3-13(11-1-2-14(24)16(11)25)23-8-10(7-22-23)15-12-4-6-19-17(12)21-9-20-15;18-7-3-13(17(25)5-1-2-6-17)23-10-11(9-20-23)14-12-4-8-19-15(12)22-16(24)21-14;18-6-3-13(17(25)4-1-2-5-17)23-9-11(8-21-23)15-12-7-14(24)22-16(12)20-10-19-15;18-6-3-13(17(25)4-1-2-5-17)23-9-11(7-22-23)15-14-12(24)8-19-16(14)21-10-20-15/h3,6,8-10,12,14,24-25H,1-2,4,7H2,(H,19,20,21);4,6-9,11,13-14,16,24-25H,1-3H2,(H,19,20,21);4,8-10,13,25H,1-3,5-6H2,(H2,19,21,22,24);7-10,13,24-25H,1-5H2,(H,19,20,22);7-10,13,24-25H,1-5H2,(H,19,20,21)
• InChIKey: GARRCQJCNJUWDR-UHFFFAOYSA-N
• XLogP: 9.41
• TPSA: 617.94 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 34
• Rotatable Bonds: 20
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1691.85
LogP ≤ 5	9.41
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

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

The IUPAC name of 3-(1,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile (CID 158198945) is 3-(1,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile.

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

The canonical SMILES for 3-(1,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile is N#CCC(C1CCC(O)C1O)n1cc(-c2ncnc3[nH]ccc23)cn1.N#CCC(n1cc(-c2[nH]c(=O)nc3[nH]ccc23)cn1)C1(O)CCCC1.N#CCC(n1cc(-c2ncnc3[nH]c(O)cc23)cn1)C1(O)CCCC1.N#CCC(n1cc(-c2ncnc3[nH]cc(O)c23)cn1)C1(O)CCCC1.N#CCC(n1cc(-c2ncnc3[nH]ccc23)cn1)C1(O)CCC(O)C1.

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

The InChIKey is GARRCQJCNJUWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/5C17H18N6O2/c18-5-2-14(17(25)4-1-12(24)7-17)23-9-11(8-22-23)15-13-3-6-19-16(13)21-10-20-15;18-5-3-13(11-1-2-14(24)16(11)25)23-8-10(7-22-23)15-12-4-6-19-17(12)21-9-20-15;18-7-3-13(17(25)5-1-2-6-17)23-10-11(9-20-23)14-12-4-8-19-15(12)22-16(24)21-14;18-6-3-13(17(25)4-1-2-5-17)23-9-11(8-21-23)15-12-7-14(24)22-16(12)20-10-19-15;18-6-3-13(17(25)4-1-2-5-17)23-9-11(7-22-23)15-14-12(24)8-19-16(14)21-10-20-15/h3,6,8-10,12,14,24-25H,1-2,4,7H2,(H,19,20,21);4,6-9,11,13-14,16,24-25H,1-3H2,(H,19,20,21);4,8-10,13,25H,1-3,5-6H2,(H2,19,21,22,24);7-10,13,24-25H,1-5H2,(H,19,20,22);7-10,13,24-25H,1-5H2,(H,19,20,21).

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

3-(1,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile has a molecular weight of 1691.85 g/mol, XLogP of 9.41, 20 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 158198945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).