(5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

C144H142F9N30O10+ — CID 158192770

IUPAC(5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESC[n+]1cnc(-c2ccc(N3CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(C6CC6)=NC7)C5=O)C4)CC3)cc2)[nH]1.Cc1nnc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(c6ccnc(C(F)(F)F)c6)=NC7)C5=O)C4)CC3)cc2)o1.Cc1noc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(c6ccnc(C(F)(F)F)c6)=NC7)C5=O)C4)CC3)cc2)n1.Cn1cc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(c6ccnc(C(F)(F)F)c6)=NC7)C5=O)C4)CC3)cc2)nn1
InChIInChI=1S/C37H35F3N8O2.2C37H34F3N7O3.C33H38N8O2/c1-45-21-31(43-44-45)26-4-2-24(3-5-26)25-9-14-47(15-10-25)33(49)22-46-16-11-36(23-46)12-17-48(35(36)50)29-7-6-28-20-42-34(30(28)19-29)27-8-13-41-32(18-27)37(38,39)40;1-23-43-44-34(50-23)26-4-2-24(3-5-26)25-9-14-46(15-10-25)32(48)21-45-16-11-36(22-45)12-17-47(35(36)49)29-7-6-28-20-42-33(30(28)19-29)27-8-13-41-31(18-27)37(38,39)40;1-23-43-34(50-44-23)26-4-2-24(3-5-26)25-9-14-46(15-10-25)32(48)21-45-16-11-36(22-45)12-17-47(35(36)49)29-7-6-28-20-42-33(30(28)19-29)27-8-13-41-31(18-27)37(38,39)40;1-37-22-35-31(36-37)24-4-7-26(8-5-24)39-14-16-40(17-15-39)29(42)20-38-12-10-33(21-38)11-13-41(32(33)43)27-9-6-25-19-34-30(23-2-3-23)28(25)18-27/h2-9,13,18-19,21H,10-12,14-17,20,22-23H2,1H3;2*2-9,13,18-19H,10-12,14-17,20-22H2,1H3;4-9,18,22-23H,2-3,10-17,19-21H2,1H3/p+1/t3*36-;33-/m0000/s1
InChIKeyRUALCOASKQMUHF-FIBNFAQNSA-O
MW2623.90 g/mol
LogP18.49
Rot. Bonds24

About (5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

(5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 158192770) has the molecular formula C144H142F9N30O10+ and a molecular weight of 2623.90 g/mol. Its IUPAC name is (5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID158192770
Molecular FormulaC144H142F9N30O10+
Molecular Weight2623.90 g/mol
Exact Mass2622.14
IUPAC Name(5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESC[n+]1cnc(-c2ccc(N3CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(C6CC6)=NC7)C5=O)C4)CC3)cc2)[nH]1.Cc1nnc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(c6ccnc(C(F)(F)F)c6)=NC7)C5=O)C4)CC3)cc2)o1.Cc1noc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(c6ccnc(C(F)(F)F)c6)=NC7)C5=O)C4)CC3)cc2)n1.Cn1cc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(c6ccnc(C(F)(F)F)c6)=NC7)C5=O)C4)CC3)cc2)nn1
InChIInChI=1S/C37H35F3N8O2.2C37H34F3N7O3.C33H38N8O2/c1-45-21-31(43-44-45)26-4-2-24(3-5-26)25-9-14-47(15-10-25)33(49)22-46-16-11-36(23-46)12-17-48(35(36)50)29-7-6-28-20-42-34(30(28)19-29)27-8-13-41-32(18-27)37(38,39)40;1-23-43-44-34(50-23)26-4-2-24(3-5-26)25-9-14-46(15-10-25)32(48)21-45-16-11-36(22-45)12-17-47(35(36)49)29-7-6-28-20-42-33(30(28)19-29)27-8-13-41-31(18-27)37(38,39)40;1-23-43-34(50-44-23)26-4-2-24(3-5-26)25-9-14-46(15-10-25)32(48)21-45-16-11-36(22-45)12-17-47(35(36)49)29-7-6-28-20-42-33(30(28)19-29)27-8-13-41-31(18-27)37(38,39)40;1-37-22-35-31(36-37)24-4-7-26(8-5-24)39-14-16-40(17-15-39)29(42)20-38-12-10-33(21-38)11-13-41(32(33)43)27-9-6-25-19-34-30(23-2-3-23)28(25)18-27/h2-9,13,18-19,21H,10-12,14-17,20,22-23H2,1H3;2*2-9,13,18-19H,10-12,14-17,20-22H2,1H3;4-9,18,22-23H,2-3,10-17,19-21H2,1H3/p+1/t3*36-;33-/m0000/s1
InChIKeyRUALCOASKQMUHF-FIBNFAQNSA-O
XLogP18.49
TPSA407.90 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms193
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002623.90
LogP ≤ 518.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (CID 158192770) is (5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is C[n+]1cnc(-c2ccc(N3CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(C6CC6)=NC7)C5=O)C4)CC3)cc2)[nH]1.Cc1nnc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(c6ccnc(C(F)(F)F)c6)=NC7)C5=O)C4)CC3)cc2)o1.Cc1noc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(c6ccnc(C(F)(F)F)c6)=NC7)C5=O)C4)CC3)cc2)n1.Cn1cc(-c2ccc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7c(c6)C(c6ccnc(C(F)(F)F)c6)=NC7)C5=O)C4)CC3)cc2)nn1.
What is the InChIKey of (5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is RUALCOASKQMUHF-FIBNFAQNSA-O. The full InChI is InChI=1S/C37H35F3N8O2.2C37H34F3N7O3.C33H38N8O2/c1-45-21-31(43-44-45)26-4-2-24(3-5-26)25-9-14-47(15-10-25)33(49)22-46-16-11-36(23-46)12-17-48(35(36)50)29-7-6-28-20-42-34(30(28)19-29)27-8-13-41-32(18-27)37(38,39)40;1-23-43-44-34(50-23)26-4-2-24(3-5-26)25-9-14-46(15-10-25)32(48)21-45-16-11-36(22-45)12-17-47(35(36)49)29-7-6-28-20-42-33(30(28)19-29)27-8-13-41-31(18-27)37(38,39)40;1-23-43-34(50-44-23)26-4-2-24(3-5-26)25-9-14-46(15-10-25)32(48)21-45-16-11-36(22-45)12-17-47(35(36)49)29-7-6-28-20-42-33(30(28)19-29)27-8-13-41-31(18-27)37(38,39)40;1-37-22-35-31(36-37)24-4-7-26(8-5-24)39-14-16-40(17-15-39)29(42)20-38-12-10-33(21-38)11-13-41(32(33)43)27-9-6-25-19-34-30(23-2-3-23)28(25)18-27/h2-9,13,18-19,21H,10-12,14-17,20,22-23H2,1H3;2*2-9,13,18-19H,10-12,14-17,20-22H2,1H3;4-9,18,22-23H,2-3,10-17,19-21H2,1H3/p+1/t3*36-;33-/m0000/s1.
What are the key properties of (5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
(5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 2623.90 g/mol, XLogP of 18.49, 24 rotatable bonds, 1 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(3-cyclopropyl-1H-isoindol-5-yl)-7-[2-[4-[4-(2-methyl-1H-1,2,4-triazol-2-ium-5-yl)phenyl]piperazin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 158192770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).