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

C51H54N18O6 — CID 159890784

IUPAC3-cyclopentyl-3-[4-(5,6-dihydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
SMILESN#CCC(C1CCCC1)n1cc(-c2[nH]c(=O)nc3[nH]c(O)cc23)cn1.N#CCC(C1CCCC1)n1cc(-c2[nH]c(=O)nc3[nH]cc(O)c23)cn1.N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]c(O)c(O)c23)cn1
InChIInChI=1S/3C17H18N6O2/c18-6-5-13(10-3-1-2-4-10)23-9-11(8-19-23)15-12-7-14(24)20-16(12)22-17(25)21-15;18-6-5-12(10-3-1-2-4-10)23-9-11(7-20-23)15-14-13(24)8-19-16(14)22-17(25)21-15;18-6-5-12(10-3-1-2-4-10)23-8-11(7-21-23)14-13-15(24)17(25)22-16(13)20-9-19-14/h7-10,13,24H,1-5H2,(H2,20,21,22,25);7-10,12,24H,1-5H2,(H2,19,21,22,25);7-10,12,24-25H,1-5H2,(H,19,20,22)
InChIKeyNUSMPXGMWCAQFX-UHFFFAOYSA-N
MW1015.11 g/mol
LogP7.81
Rot. Bonds12

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

3-cyclopentyl-3-[4-(5,6-dihydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile (PubChem CID 159890784) has the molecular formula C51H54N18O6 and a molecular weight of 1015.11 g/mol. Its IUPAC name is 3-cyclopentyl-3-[4-(5,6-dihydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-cyclopentyl-3-[4-(5,6-dihydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
PubChem CID159890784
Molecular FormulaC51H54N18O6
Molecular Weight1015.11 g/mol
Exact Mass1014.45
IUPAC Name3-cyclopentyl-3-[4-(5,6-dihydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
SMILESN#CCC(C1CCCC1)n1cc(-c2[nH]c(=O)nc3[nH]c(O)cc23)cn1.N#CCC(C1CCCC1)n1cc(-c2[nH]c(=O)nc3[nH]cc(O)c23)cn1.N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]c(O)c(O)c23)cn1
InChIInChI=1S/3C17H18N6O2/c18-6-5-13(10-3-1-2-4-10)23-9-11(8-19-23)15-12-7-14(24)20-16(12)22-17(25)21-15;18-6-5-12(10-3-1-2-4-10)23-9-11(7-20-23)15-14-13(24)8-19-16(14)22-17(25)21-15;18-6-5-12(10-3-1-2-4-10)23-8-11(7-21-23)14-13-15(24)17(25)22-16(13)20-9-19-14/h7-10,13,24H,1-5H2,(H2,20,21,22,25);7-10,12,24H,1-5H2,(H2,19,21,22,25);7-10,12,24-25H,1-5H2,(H,19,20,22)
InChIKeyNUSMPXGMWCAQFX-UHFFFAOYSA-N
XLogP7.81
TPSA370.40 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms75
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001015.11
LogP ≤ 57.81
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-[4-(5,6-dihydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile?
The IUPAC name of 3-cyclopentyl-3-[4-(5,6-dihydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile (CID 159890784) is 3-cyclopentyl-3-[4-(5,6-dihydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-cyclopentyl-3-[4-(5,6-dihydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-cyclopentyl-3-[4-(5,6-dihydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile is N#CCC(C1CCCC1)n1cc(-c2[nH]c(=O)nc3[nH]c(O)cc23)cn1.N#CCC(C1CCCC1)n1cc(-c2[nH]c(=O)nc3[nH]cc(O)c23)cn1.N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]c(O)c(O)c23)cn1.
What is the InChIKey of 3-cyclopentyl-3-[4-(5,6-dihydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile?
The InChIKey is NUSMPXGMWCAQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H18N6O2/c18-6-5-13(10-3-1-2-4-10)23-9-11(8-19-23)15-12-7-14(24)20-16(12)22-17(25)21-15;18-6-5-12(10-3-1-2-4-10)23-9-11(7-20-23)15-14-13(24)8-19-16(14)22-17(25)21-15;18-6-5-12(10-3-1-2-4-10)23-8-11(7-21-23)14-13-15(24)17(25)22-16(13)20-9-19-14/h7-10,13,24H,1-5H2,(H2,20,21,22,25);7-10,12,24H,1-5H2,(H2,19,21,22,25);7-10,12,24-25H,1-5H2,(H,19,20,22).
What are the key properties of 3-cyclopentyl-3-[4-(5,6-dihydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile?
3-cyclopentyl-3-[4-(5,6-dihydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile has a molecular weight of 1015.11 g/mol, XLogP of 7.81, 12 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-[4-(5,6-dihydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(5-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-cyclopentyl-3-[4-(6-hydroxy-2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 159890784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).