[(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

C135H161N13O10 — CID 167649744

IUPAC[(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCC.CC.CC.CC.CC.CC(C)c1ccccc1-c1ccc([C@H]2CCN(C(=O)c3ccccn3)C2)c(CO)c1.CC(C)c1ccccc1-c1ccc([C@H]2CCN(C(=O)c3cnccn3)C2)c(CO)c1.CCc1ccccc1-c1ccc([C@H]2CCN(C(=O)c3ccccn3)C2)c(CO)c1.CCc1ccccc1-c1ccc([C@H]2CCN(C(=O)c3cnccn3)C2)c(CO)c1.O=C(c1cnccn1)N1CC[C@H](c2ccc(-c3ccccc3C3CC3)cc2CO)C1
InChIInChI=1S/C26H28N2O2.C25H25N3O2.C25H27N3O2.C25H26N2O2.C24H25N3O2.5C2H6/c1-18(2)22-7-3-4-8-24(22)19-10-11-23(21(15-19)17-29)20-12-14-28(16-20)26(30)25-9-5-6-13-27-25;29-16-20-13-18(23-4-2-1-3-22(23)17-5-6-17)7-8-21(20)19-9-12-28(15-19)25(30)24-14-26-10-11-27-24;1-17(2)21-5-3-4-6-23(21)18-7-8-22(20(13-18)16-29)19-9-12-28(15-19)25(30)24-14-26-10-11-27-24;1-2-18-7-3-4-8-22(18)19-10-11-23(21(15-19)17-28)20-12-14-27(16-20)25(29)24-9-5-6-13-26-24;1-2-17-5-3-4-6-21(17)18-7-8-22(20(13-18)16-28)19-9-12-27(15-19)24(29)23-14-25-10-11-26-23;5*1-2/h3-11,13,15,18,20,29H,12,14,16-17H2,1-2H3;1-4,7-8,10-11,13-14,17,19,29H,5-6,9,12,15-16H2;3-8,10-11,13-14,17,19,29H,9,12,15-16H2,1-2H3;3-11,13,15,20,28H,2,12,14,16-17H2,1H3;3-8,10-11,13-14,19,28H,2,9,12,15-16H2,1H3;5*1-2H3/t20-;2*19-;20-;19-;;;;;/m00000...../s1
InChIKeyQJZTWAZBVWQJMI-KCXOHBABSA-N
MW2125.85 g/mol
LogP26.92
Rot. Bonds25

About [(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone

[(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 167649744) has the molecular formula C135H161N13O10 and a molecular weight of 2125.85 g/mol. Its IUPAC name is [(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
PubChem CID167649744
Molecular FormulaC135H161N13O10
Molecular Weight2125.85 g/mol
Exact Mass2124.25
IUPAC Name[(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
SMILESCC.CC.CC.CC.CC.CC(C)c1ccccc1-c1ccc([C@H]2CCN(C(=O)c3ccccn3)C2)c(CO)c1.CC(C)c1ccccc1-c1ccc([C@H]2CCN(C(=O)c3cnccn3)C2)c(CO)c1.CCc1ccccc1-c1ccc([C@H]2CCN(C(=O)c3ccccn3)C2)c(CO)c1.CCc1ccccc1-c1ccc([C@H]2CCN(C(=O)c3cnccn3)C2)c(CO)c1.O=C(c1cnccn1)N1CC[C@H](c2ccc(-c3ccccc3C3CC3)cc2CO)C1
InChIInChI=1S/C26H28N2O2.C25H25N3O2.C25H27N3O2.C25H26N2O2.C24H25N3O2.5C2H6/c1-18(2)22-7-3-4-8-24(22)19-10-11-23(21(15-19)17-29)20-12-14-28(16-20)26(30)25-9-5-6-13-27-25;29-16-20-13-18(23-4-2-1-3-22(23)17-5-6-17)7-8-21(20)19-9-12-28(15-19)25(30)24-14-26-10-11-27-24;1-17(2)21-5-3-4-6-23(21)18-7-8-22(20(13-18)16-29)19-9-12-28(15-19)25(30)24-14-26-10-11-27-24;1-2-18-7-3-4-8-22(18)19-10-11-23(21(15-19)17-28)20-12-14-27(16-20)25(29)24-9-5-6-13-26-24;1-2-17-5-3-4-6-21(17)18-7-8-22(20(13-18)16-28)19-9-12-27(15-19)24(29)23-14-25-10-11-26-23;5*1-2/h3-11,13,15,18,20,29H,12,14,16-17H2,1-2H3;1-4,7-8,10-11,13-14,17,19,29H,5-6,9,12,15-16H2;3-8,10-11,13-14,17,19,29H,9,12,15-16H2,1-2H3;3-11,13,15,20,28H,2,12,14,16-17H2,1H3;3-8,10-11,13-14,19,28H,2,9,12,15-16H2,1H3;5*1-2H3/t20-;2*19-;20-;19-;;;;;/m00000...../s1
InChIKeyQJZTWAZBVWQJMI-KCXOHBABSA-N
XLogP26.92
TPSA305.82 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds25
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002125.85
LogP ≤ 526.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze [(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

[3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 166004229
[3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 156814637
(6-ethylpyrazin-2-yl)-[3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]methanone
CID 167549008
[3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-(1-methylimidazol-4-yl)methanone
CID 166004214
[3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 166004552
[3-[6-(2-cyclopropylphenyl)-4-(hydroxymethyl)-3-pyridinyl]pyrrolidin-1-yl]-(5-fluoro-2-pyridinyl)methanone
CID 166004515
5-(2-propan-2-ylphenoxy)-2-[1-(pyrazine-2-carbonyl)pyrrolidin-3-yl]benzamide
CID 156815667
3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidine-1-carbaldehyde
CID 156814719
[3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)-6-methylphenyl]pyrrolidin-1-yl]-(5-hydroxy-6-methyl-2-pyridinyl)methanone
CID 166004302
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
[4-[[(1R)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 99702778

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone (CID 167649744) is [(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is CC.CC.CC.CC.CC.CC(C)c1ccccc1-c1ccc([C@H]2CCN(C(=O)c3ccccn3)C2)c(CO)c1.CC(C)c1ccccc1-c1ccc([C@H]2CCN(C(=O)c3cnccn3)C2)c(CO)c1.CCc1ccccc1-c1ccc([C@H]2CCN(C(=O)c3ccccn3)C2)c(CO)c1.CCc1ccccc1-c1ccc([C@H]2CCN(C(=O)c3cnccn3)C2)c(CO)c1.O=C(c1cnccn1)N1CC[C@H](c2ccc(-c3ccccc3C3CC3)cc2CO)C1.
What is the InChIKey of [(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is QJZTWAZBVWQJMI-KCXOHBABSA-N. The full InChI is InChI=1S/C26H28N2O2.C25H25N3O2.C25H27N3O2.C25H26N2O2.C24H25N3O2.5C2H6/c1-18(2)22-7-3-4-8-24(22)19-10-11-23(21(15-19)17-29)20-12-14-28(16-20)26(30)25-9-5-6-13-27-25;29-16-20-13-18(23-4-2-1-3-22(23)17-5-6-17)7-8-21(20)19-9-12-28(15-19)25(30)24-14-26-10-11-27-24;1-17(2)21-5-3-4-6-23(21)18-7-8-22(20(13-18)16-29)19-9-12-28(15-19)25(30)24-14-26-10-11-27-24;1-2-18-7-3-4-8-22(18)19-10-11-23(21(15-19)17-28)20-12-14-27(16-20)25(29)24-9-5-6-13-26-24;1-2-17-5-3-4-6-21(17)18-7-8-22(20(13-18)16-28)19-9-12-27(15-19)24(29)23-14-25-10-11-26-23;5*1-2/h3-11,13,15,18,20,29H,12,14,16-17H2,1-2H3;1-4,7-8,10-11,13-14,17,19,29H,5-6,9,12,15-16H2;3-8,10-11,13-14,17,19,29H,9,12,15-16H2,1-2H3;3-11,13,15,20,28H,2,12,14,16-17H2,1H3;3-8,10-11,13-14,19,28H,2,9,12,15-16H2,1H3;5*1-2H3/t20-;2*19-;20-;19-;;;;;/m00000...../s1.
What are the key properties of [(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone?
[(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 2125.85 g/mol, XLogP of 26.92, 25 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-(2-cyclopropylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;ethane;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[4-(2-ethylphenyl)-2-(hydroxymethyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone;[(3R)-3-[2-(hydroxymethyl)-4-(2-propan-2-ylphenyl)phenyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 167649744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).