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

C102H108N36O12 — CID 161013527

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

3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,4-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,5-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile (PubChem CID 161013527) has the molecular formula C102H108N36O12 and a molecular weight of 2030.23 g/mol. Its IUPAC name is 3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,4-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,5-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile.

Molecular Properties

• Compound Name: 3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,4-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,5-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
• PubChem CID: 161013527
• Molecular Formula: C102H108N36O12
• Molecular Weight: 2030.23 g/mol
• Exact Mass: 2028.89
• IUPAC Name: 3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,4-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,5-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
• SMILES: N#CCC(C1C(O)CCC1O)n1cc(-c2ncnc3[nH]ccc23)cn1.N#CCC(C1CC(O)CC1O)n1cc(-c2ncnc3[nH]ccc23)cn1.N#CCC(C1CCC(O)C1O)n1cc(-c2ncnc3[nH]ccc23)cn1.N#CCC(C1CCCC1O)n1[nH]cc(-c2ncnc3[nH]ccc23)c1=O.N#CCC(C1CCCC1O)n1cc(-c2ncnc3[nH]ccc23)c(=O)[nH]1.N#CCC(n1[nH]cc(-c2ncnc3[nH]ccc23)c1=O)C1(O)CCCC1
• InChI: InChI=1S/6C17H18N6O2/c18-3-1-14(13-5-11(24)6-15(13)25)23-8-10(7-22-23)16-12-2-4-19-17(12)21-9-20-16;18-5-3-12(15-13(24)1-2-14(15)25)23-8-10(7-22-23)16-11-4-6-19-17(11)21-9-20-16;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)23-16(24)12(9-22-23)14-11-4-8-19-15(11)21-10-20-14;18-6-4-13(10-2-1-3-14(10)24)23-8-12(17(25)22-23)15-11-5-7-19-16(11)21-9-20-15;18-6-4-13(10-2-1-3-14(10)24)23-17(25)12(8-22-23)15-11-5-7-19-16(11)21-9-20-15/h2,4,7-9,11,13-15,24-25H,1,5-6H2,(H,19,20,21);4,6-9,12-15,24-25H,1-3H2,(H,19,20,21);4,6-9,11,13-14,16,24-25H,1-3H2,(H,19,20,21);4,8-10,13,22,25H,1-3,5-6H2,(H,19,20,21);5,7-10,13-14,24H,1-4H2,(H,22,25)(H,19,20,21);5,7-10,13-14,22,24H,1-4H2,(H,19,20,21)
• InChIKey: RPSYTCAIOCOUML-UHFFFAOYSA-N
• XLogP: 9.56
• TPSA: 741.06 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 39
• Rotatable Bonds: 24
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2030.23
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

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

The IUPAC name of 3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,4-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,5-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile (CID 161013527) is 3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,4-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,5-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile.

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

The canonical SMILES for 3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,4-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,5-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile is N#CCC(C1C(O)CCC1O)n1cc(-c2ncnc3[nH]ccc23)cn1.N#CCC(C1CC(O)CC1O)n1cc(-c2ncnc3[nH]ccc23)cn1.N#CCC(C1CCC(O)C1O)n1cc(-c2ncnc3[nH]ccc23)cn1.N#CCC(C1CCCC1O)n1[nH]cc(-c2ncnc3[nH]ccc23)c1=O.N#CCC(C1CCCC1O)n1cc(-c2ncnc3[nH]ccc23)c(=O)[nH]1.N#CCC(n1[nH]cc(-c2ncnc3[nH]ccc23)c1=O)C1(O)CCCC1.

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

The InChIKey is RPSYTCAIOCOUML-UHFFFAOYSA-N. The full InChI is InChI=1S/6C17H18N6O2/c18-3-1-14(13-5-11(24)6-15(13)25)23-8-10(7-22-23)16-12-2-4-19-17(12)21-9-20-16;18-5-3-12(15-13(24)1-2-14(15)25)23-8-10(7-22-23)16-11-4-6-19-17(11)21-9-20-16;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)23-16(24)12(9-22-23)14-11-4-8-19-15(11)21-10-20-14;18-6-4-13(10-2-1-3-14(10)24)23-8-12(17(25)22-23)15-11-5-7-19-16(11)21-9-20-15;18-6-4-13(10-2-1-3-14(10)24)23-17(25)12(8-22-23)15-11-5-7-19-16(11)21-9-20-15/h2,4,7-9,11,13-15,24-25H,1,5-6H2,(H,19,20,21);4,6-9,12-15,24-25H,1-3H2,(H,19,20,21);4,6-9,11,13-14,16,24-25H,1-3H2,(H,19,20,21);4,8-10,13,22,25H,1-3,5-6H2,(H,19,20,21);5,7-10,13-14,24H,1-4H2,(H,22,25)(H,19,20,21);5,7-10,13-14,22,24H,1-4H2,(H,19,20,21).

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

3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,4-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,5-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile has a molecular weight of 2030.23 g/mol, XLogP of 9.56, 24 rotatable bonds, 18 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2,3-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,4-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2,5-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(1-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile is sourced from PubChem (CID 161013527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).