(2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone

C108H92N10O5 — CID 160876743

IUPAC(2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone
SMILESCc1cc(C2=NCc3cc4c(cc32)C=C(C(=O)Cc2ccccc2)C4)ccn1.Cc1cccc(CC(=O)C2=Cc3cc4c(cc3C2)CN=C4c2ccnc(C3CC3)c2)n1.Cc1cccc([C@@H](C)C(=O)C2=Cc3cc4c(cc3C2)CN=C4c2ccnc(C3CC3)c2)n1.O=C(C1=Cc2cc3c(cc2C1)CN=C3c1ccnc(C2CC2)c1)[C@H](CO)c1ccccc1
InChIInChI=1S/C28H25N3O.C28H24N2O2.C27H23N3O.C25H20N2O/c1-16-4-3-5-25(31-16)17(2)28(32)22-10-20-12-23-15-30-27(24(23)13-21(20)11-22)19-8-9-29-26(14-19)18-6-7-18;31-16-25(17-4-2-1-3-5-17)28(32)22-10-20-12-23-15-30-27(24(23)13-21(20)11-22)19-8-9-29-26(14-19)18-6-7-18;1-16-3-2-4-23(30-16)14-26(31)21-9-19-11-22-15-29-27(24(22)12-20(19)10-21)18-7-8-28-25(13-18)17-5-6-17;1-16-9-18(7-8-26-16)25-23-14-20-12-21(11-19(20)13-22(23)15-27-25)24(28)10-17-5-3-2-4-6-17/h3-5,8-9,11-14,17-18H,6-7,10,15H2,1-2H3;1-5,8-9,11-14,18,25,31H,6-7,10,15-16H2;2-4,7-8,10-13,17H,5-6,9,14-15H2,1H3;2-9,12-14H,10-11,15H2,1H3/t17-;25-;;/m11../s1
InChIKeySMMNJSKHZCMCAA-WRMPQLHRSA-N
MW1609.99 g/mol
LogP19.18
Rot. Bonds20

About (2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone

(2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone (PubChem CID 160876743) has the molecular formula C108H92N10O5 and a molecular weight of 1609.99 g/mol. Its IUPAC name is (2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone.

Molecular Properties

Compound Name(2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone
PubChem CID160876743
Molecular FormulaC108H92N10O5
Molecular Weight1609.99 g/mol
Exact Mass1608.73
IUPAC Name(2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone
SMILESCc1cc(C2=NCc3cc4c(cc32)C=C(C(=O)Cc2ccccc2)C4)ccn1.Cc1cccc(CC(=O)C2=Cc3cc4c(cc3C2)CN=C4c2ccnc(C3CC3)c2)n1.Cc1cccc([C@@H](C)C(=O)C2=Cc3cc4c(cc3C2)CN=C4c2ccnc(C3CC3)c2)n1.O=C(C1=Cc2cc3c(cc2C1)CN=C3c1ccnc(C2CC2)c1)[C@H](CO)c1ccccc1
InChIInChI=1S/C28H25N3O.C28H24N2O2.C27H23N3O.C25H20N2O/c1-16-4-3-5-25(31-16)17(2)28(32)22-10-20-12-23-15-30-27(24(23)13-21(20)11-22)19-8-9-29-26(14-19)18-6-7-18;31-16-25(17-4-2-1-3-5-17)28(32)22-10-20-12-23-15-30-27(24(23)13-21(20)11-22)19-8-9-29-26(14-19)18-6-7-18;1-16-3-2-4-23(30-16)14-26(31)21-9-19-11-22-15-29-27(24(22)12-20(19)10-21)18-7-8-28-25(13-18)17-5-6-17;1-16-9-18(7-8-26-16)25-23-14-20-12-21(11-19(20)13-22(23)15-27-25)24(28)10-17-5-3-2-4-6-17/h3-5,8-9,11-14,17-18H,6-7,10,15H2,1-2H3;1-5,8-9,11-14,18,25,31H,6-7,10,15-16H2;2-4,7-8,10-13,17H,5-6,9,14-15H2,1H3;2-9,12-14H,10-11,15H2,1H3/t17-;25-;;/m11../s1
InChIKeySMMNJSKHZCMCAA-WRMPQLHRSA-N
XLogP19.18
TPSA215.29 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms123
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001609.99
LogP ≤ 519.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze (2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone?
The IUPAC name of (2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone (CID 160876743) is (2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone.
What is the SMILES notation for (2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone?
The canonical SMILES for (2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone is Cc1cc(C2=NCc3cc4c(cc32)C=C(C(=O)Cc2ccccc2)C4)ccn1.Cc1cccc(CC(=O)C2=Cc3cc4c(cc3C2)CN=C4c2ccnc(C3CC3)c2)n1.Cc1cccc([C@@H](C)C(=O)C2=Cc3cc4c(cc3C2)CN=C4c2ccnc(C3CC3)c2)n1.O=C(C1=Cc2cc3c(cc2C1)CN=C3c1ccnc(C2CC2)c1)[C@H](CO)c1ccccc1.
What is the InChIKey of (2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone?
The InChIKey is SMMNJSKHZCMCAA-WRMPQLHRSA-N. The full InChI is InChI=1S/C28H25N3O.C28H24N2O2.C27H23N3O.C25H20N2O/c1-16-4-3-5-25(31-16)17(2)28(32)22-10-20-12-23-15-30-27(24(23)13-21(20)11-22)19-8-9-29-26(14-19)18-6-7-18;31-16-25(17-4-2-1-3-5-17)28(32)22-10-20-12-23-15-30-27(24(23)13-21(20)11-22)19-8-9-29-26(14-19)18-6-7-18;1-16-3-2-4-23(30-16)14-26(31)21-9-19-11-22-15-29-27(24(22)12-20(19)10-21)18-7-8-28-25(13-18)17-5-6-17;1-16-9-18(7-8-26-16)25-23-14-20-12-21(11-19(20)13-22(23)15-27-25)24(28)10-17-5-3-2-4-6-17/h3-5,8-9,11-14,17-18H,6-7,10,15H2,1-2H3;1-5,8-9,11-14,18,25,31H,6-7,10,15-16H2;2-4,7-8,10-13,17H,5-6,9,14-15H2,1H3;2-9,12-14H,10-11,15H2,1H3/t17-;25-;;/m11../s1.
What are the key properties of (2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone?
(2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone has a molecular weight of 1609.99 g/mol, XLogP of 19.18, 20 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-3-hydroxy-2-phenylpropan-1-one;1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)ethanone;(2R)-1-[1-(2-cyclopropyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-(6-methyl-2-pyridinyl)propan-1-one;1-[1-(2-methyl-4-pyridinyl)-3,5-dihydrocyclopenta[f]isoindol-6-yl]-2-phenylethanone is sourced from PubChem (CID 160876743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).