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

C68H72N24O8 — CID 159903415

IUPAC3-(3-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
SMILESN#CCC(C1CCC(O)C1)n1cc(-c2[nH]c(=O)nc3[nH]ccc23)cn1.N#CCC(C1CCC(O)C1)n1cc(-c2ncnc3[nH]c(O)cc23)cn1.N#CCC(C1CCC(O)C1)n1cc(-c2ncnc3[nH]cc(O)c23)cn1.N#CCC(C1CCC(O)C1)n1cc(-c2ncnc3[nH]ccc23)c(=O)[nH]1
InChIInChI=1S/4C17H18N6O2/c18-5-3-14(10-1-2-12(24)7-10)23-9-11(8-20-23)15-13-4-6-19-16(13)22-17(25)21-15;18-5-3-14(10-1-2-11(24)7-10)23-8-13(17(25)22-23)15-12-4-6-19-16(12)21-9-20-15;18-4-3-14(10-1-2-12(24)5-10)23-8-11(7-21-23)16-13-6-15(25)22-17(13)20-9-19-16;18-4-3-13(10-1-2-12(24)5-10)23-8-11(6-22-23)16-15-14(25)7-19-17(15)21-9-20-16/h4,6,8-10,12,14,24H,1-3,7H2,(H2,19,21,22,25);4,6,8-11,14,24H,1-3,7H2,(H,22,25)(H,19,20,21);6-10,12,14,24-25H,1-3,5H2,(H,19,20,22);6-10,12-13,24-25H,1-3,5H2,(H,19,20,21)
InChIKeyNWGFRYNQRWXMRU-UHFFFAOYSA-N
MW1353.48 g/mol
LogP7.75
Rot. Bonds16

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

3-(3-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile (PubChem CID 159903415) has the molecular formula C68H72N24O8 and a molecular weight of 1353.48 g/mol. Its IUPAC name is 3-(3-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile.

Molecular Properties

Compound Name3-(3-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
PubChem CID159903415
Molecular FormulaC68H72N24O8
Molecular Weight1353.48 g/mol
Exact Mass1352.60
IUPAC Name3-(3-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
SMILESN#CCC(C1CCC(O)C1)n1cc(-c2[nH]c(=O)nc3[nH]ccc23)cn1.N#CCC(C1CCC(O)C1)n1cc(-c2ncnc3[nH]c(O)cc23)cn1.N#CCC(C1CCC(O)C1)n1cc(-c2ncnc3[nH]cc(O)c23)cn1.N#CCC(C1CCC(O)C1)n1cc(-c2ncnc3[nH]ccc23)c(=O)[nH]1
InChIInChI=1S/4C17H18N6O2/c18-5-3-14(10-1-2-12(24)7-10)23-9-11(8-20-23)15-13-4-6-19-16(13)22-17(25)21-15;18-5-3-14(10-1-2-11(24)7-10)23-8-13(17(25)22-23)15-12-4-6-19-16(12)21-9-20-15;18-4-3-14(10-1-2-12(24)5-10)23-8-11(7-21-23)16-13-6-15(25)22-17(13)20-9-19-16;18-4-3-13(10-1-2-12(24)5-10)23-8-11(6-22-23)16-15-14(25)7-19-17(15)21-9-20-16/h4,6,8-10,12,14,24H,1-3,7H2,(H2,19,21,22,25);4,6,8-11,14,24H,1-3,7H2,(H,22,25)(H,19,20,21);6-10,12,14,24-25H,1-3,5H2,(H,19,20,22);6-10,12-13,24-25H,1-3,5H2,(H,19,20,21)
InChIKeyNWGFRYNQRWXMRU-UHFFFAOYSA-N
XLogP7.75
TPSA494.04 Ų
H-Bond Donors12
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001353.48
LogP ≤ 57.75
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1026

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

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Launch Full Analysis

Related Compounds

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-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-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-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-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 157294330
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
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-(1-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
CID 157627419
3-(3-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
CID 157783835
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
3-(3,4-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
CID 159152346
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
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-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-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 159391616
3-(3,4-dihydroxycyclopentyl)-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[3-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
CID 159923341
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-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-oxo-1H-pyrazol-2-yl]propanenitrile;3-cyclopentyl-3-[5-oxo-4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
CID 160103367
3-(2-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(2-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile
CID 160140033
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-[5-oxo-4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
CID 160223139

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile?
The IUPAC name of 3-(3-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile (CID 159903415) is 3-(3-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-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-(3-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile?
The canonical SMILES for 3-(3-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile is N#CCC(C1CCC(O)C1)n1cc(-c2[nH]c(=O)nc3[nH]ccc23)cn1.N#CCC(C1CCC(O)C1)n1cc(-c2ncnc3[nH]c(O)cc23)cn1.N#CCC(C1CCC(O)C1)n1cc(-c2ncnc3[nH]cc(O)c23)cn1.N#CCC(C1CCC(O)C1)n1cc(-c2ncnc3[nH]ccc23)c(=O)[nH]1.
What is the InChIKey of 3-(3-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile?
The InChIKey is NWGFRYNQRWXMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C17H18N6O2/c18-5-3-14(10-1-2-12(24)7-10)23-9-11(8-20-23)15-13-4-6-19-16(13)22-17(25)21-15;18-5-3-14(10-1-2-11(24)7-10)23-8-13(17(25)22-23)15-12-4-6-19-16(12)21-9-20-15;18-4-3-14(10-1-2-12(24)5-10)23-8-11(7-21-23)16-13-6-15(25)22-17(13)20-9-19-16;18-4-3-13(10-1-2-12(24)5-10)23-8-11(6-22-23)16-15-14(25)7-19-17(15)21-9-20-16/h4,6,8-10,12,14,24H,1-3,7H2,(H2,19,21,22,25);4,6,8-11,14,24H,1-3,7H2,(H,22,25)(H,19,20,21);6-10,12,14,24-25H,1-3,5H2,(H,19,20,22);6-10,12-13,24-25H,1-3,5H2,(H,19,20,21).
What are the key properties of 3-(3-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile?
3-(3-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile has a molecular weight of 1353.48 g/mol, XLogP of 7.75, 16 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxycyclopentyl)-3-[4-(5-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(6-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[4-(2-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile;3-(3-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile is sourced from PubChem (CID 159903415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).