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

C85H90N30O10 — CID 161181155

IUPAC3-(1,3-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-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
SMILESN#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)c(=O)[nH]1)C1(O)CCCC1.N#CCC(n1cc(-c2ncnc3[nH]ccc23)cn1)C1(O)CCC(O)C1
InChIInChI=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;18-7-3-13(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;18-7-3-13(17(25)5-1-2-6-17)23-9-12(16(24)22-23)14-11-4-8-19-15(11)21-10-20-14;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);4,8-10,13,25H,1-3,5-6H2,(H2,19,21,22,24);4,8-10,13,25H,1-3,5-6H2,(H,22,24)(H,19,20,21);7-10,13,24-25H,1-5H2,(H,19,20,22);7-10,13,24-25H,1-5H2,(H,19,20,21)
InChIKeyUSLWTHHLRBWYER-UHFFFAOYSA-N
MW1691.85 g/mol
LogP9.88
Rot. Bonds20

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

3-(1,3-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-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile (PubChem CID 161181155) 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-(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-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile.

Molecular Properties

Compound Name3-(1,3-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-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
PubChem CID161181155
Molecular FormulaC85H90N30O10
Molecular Weight1691.85 g/mol
Exact Mass1690.75
IUPAC Name3-(1,3-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-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile
SMILESN#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)c(=O)[nH]1)C1(O)CCCC1.N#CCC(n1cc(-c2ncnc3[nH]ccc23)cn1)C1(O)CCC(O)C1
InChIInChI=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;18-7-3-13(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;18-7-3-13(17(25)5-1-2-6-17)23-9-12(16(24)22-23)14-11-4-8-19-15(11)21-10-20-14;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);4,8-10,13,25H,1-3,5-6H2,(H2,19,21,22,24);4,8-10,13,25H,1-3,5-6H2,(H,22,24)(H,19,20,21);7-10,13,24-25H,1-5H2,(H,19,20,22);7-10,13,24-25H,1-5H2,(H,19,20,21)
InChIKeyUSLWTHHLRBWYER-UHFFFAOYSA-N
XLogP9.88
TPSA617.68 Ų
H-Bond Donors15
H-Bond Acceptors33
Rotatable Bonds20
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001691.85
LogP ≤ 59.88
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1033

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

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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-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-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
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-(1,3-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-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-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-(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-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile (CID 161181155) is 3-(1,3-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-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-(1,3-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-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-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-(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-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile is 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)c(=O)[nH]1)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-(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-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile?
The InChIKey is USLWTHHLRBWYER-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;18-7-3-13(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;18-7-3-13(17(25)5-1-2-6-17)23-9-12(16(24)22-23)14-11-4-8-19-15(11)21-10-20-14;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);4,8-10,13,25H,1-3,5-6H2,(H2,19,21,22,24);4,8-10,13,25H,1-3,5-6H2,(H,22,24)(H,19,20,21);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-(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-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile?
3-(1,3-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-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile has a molecular weight of 1691.85 g/mol, XLogP of 9.88, 20 rotatable bonds, 15 hydrogen bond donors, and 33 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-(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-hydroxycyclopentyl)-3-[5-oxo-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-2-yl]propanenitrile is sourced from PubChem (CID 161181155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).