(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide

C128H132Cl3F7N18O19S3 — CID 167688289

IUPAC(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide
SMILESCOc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5(C)CC5)C4)c3C)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5(C)CC5)C4)c3C)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(OC(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5(C)CC5)C4)c3C)c2Cl)cnc1CN1CC[C@@H](O)C1
InChIInChI=1S/C43H44ClF3N6O7S.C43H44ClF3N6O6S.C42H44ClFN6O6S/c1-23-26(28-8-5-9-30(36(28)44)33-19-48-34(41(50-33)58-3)22-52-16-13-25(54)21-52)6-4-7-27(23)40-49-32-18-31-29(37(38(32)59-40)60-43(45,46)47)10-11-35(31)53-17-12-24(20-53)39(55)51-61(56,57)42(2)14-15-42;1-23-26(29-8-5-9-30(37(29)44)33-19-48-34(41(50-33)58-3)22-52-16-13-25(54)21-52)6-4-7-27(23)40-49-32-18-31-28(36(38(32)59-40)43(45,46)47)10-11-35(31)53-17-12-24(20-53)39(55)51-60(56,57)42(2)14-15-42;1-23-26(28-8-5-9-30(36(28)43)33-19-45-34(41(47-33)55-3)22-49-16-13-25(51)21-49)6-4-7-27(23)40-46-32-18-31-29(37(44)38(32)56-40)10-11-35(31)50-17-12-24(20-50)39(52)48-57(53,54)42(2)14-15-42/h4-9,18-19,24-25,35,54H,10-17,20-22H2,1-3H3,(H,51,55);4-9,18-19,24-25,35,54H,10-17,20-22H2,1-3H3,(H,51,55);4-9,18-19,24-25,35,51H,10-17,20-22H2,1-3H3,(H,48,52)/t3*24-,25-,35-/m111/s1
InChIKeyWNTGKDZHPQMNQV-WKWRUSLFSA-N
MW2562.12 g/mol
LogP21.45
Rot. Bonds31

About (3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide

(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide (PubChem CID 167688289) has the molecular formula C128H132Cl3F7N18O19S3 and a molecular weight of 2562.12 g/mol. Its IUPAC name is (3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide
PubChem CID167688289
Molecular FormulaC128H132Cl3F7N18O19S3
Molecular Weight2562.12 g/mol
Exact Mass2558.80
IUPAC Name(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide
SMILESCOc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5(C)CC5)C4)c3C)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5(C)CC5)C4)c3C)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(OC(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5(C)CC5)C4)c3C)c2Cl)cnc1CN1CC[C@@H](O)C1
InChIInChI=1S/C43H44ClF3N6O7S.C43H44ClF3N6O6S.C42H44ClFN6O6S/c1-23-26(28-8-5-9-30(36(28)44)33-19-48-34(41(50-33)58-3)22-52-16-13-25(54)21-52)6-4-7-27(23)40-49-32-18-31-29(37(38(32)59-40)60-43(45,46)47)10-11-35(31)53-17-12-24(20-53)39(55)51-61(56,57)42(2)14-15-42;1-23-26(29-8-5-9-30(37(29)44)33-19-48-34(41(50-33)58-3)22-52-16-13-25(54)21-52)6-4-7-27(23)40-49-32-18-31-28(36(38(32)59-40)43(45,46)47)10-11-35(31)53-17-12-24(20-53)39(55)51-60(56,57)42(2)14-15-42;1-23-26(28-8-5-9-30(36(28)43)33-19-45-34(41(47-33)55-3)22-49-16-13-25(51)21-49)6-4-7-27(23)40-46-32-18-31-29(37(44)38(32)56-40)10-11-35(31)50-17-12-24(20-50)39(52)48-57(53,54)42(2)14-15-42/h4-9,18-19,24-25,35,54H,10-17,20-22H2,1-3H3,(H,51,55);4-9,18-19,24-25,35,54H,10-17,20-22H2,1-3H3,(H,51,55);4-9,18-19,24-25,35,51H,10-17,20-22H2,1-3H3,(H,48,52)/t3*24-,25-,35-/m111/s1
InChIKeyWNTGKDZHPQMNQV-WKWRUSLFSA-N
XLogP21.45
TPSA462.20 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds31
Heavy Atoms178
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002562.12
LogP ≤ 521.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze (3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide (CID 167688289) is (3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide is COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(C(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5(C)CC5)C4)c3C)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5(C)CC5)C4)c3C)c2Cl)cnc1CN1CC[C@@H](O)C1.COc1nc(-c2cccc(-c3cccc(-c4nc5cc6c(c(OC(F)(F)F)c5o4)CC[C@H]6N4CC[C@@H](C(=O)NS(=O)(=O)C5(C)CC5)C4)c3C)c2Cl)cnc1CN1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide?
The InChIKey is WNTGKDZHPQMNQV-WKWRUSLFSA-N. The full InChI is InChI=1S/C43H44ClF3N6O7S.C43H44ClF3N6O6S.C42H44ClFN6O6S/c1-23-26(28-8-5-9-30(36(28)44)33-19-48-34(41(50-33)58-3)22-52-16-13-25(54)21-52)6-4-7-27(23)40-49-32-18-31-29(37(38(32)59-40)60-43(45,46)47)10-11-35(31)53-17-12-24(20-53)39(55)51-61(56,57)42(2)14-15-42;1-23-26(29-8-5-9-30(37(29)44)33-19-48-34(41(50-33)58-3)22-52-16-13-25(54)21-52)6-4-7-27(23)40-49-32-18-31-28(36(38(32)59-40)43(45,46)47)10-11-35(31)53-17-12-24(20-53)39(55)51-60(56,57)42(2)14-15-42;1-23-26(28-8-5-9-30(36(28)43)33-19-45-34(41(47-33)55-3)22-49-16-13-25(51)21-49)6-4-7-27(23)40-46-32-18-31-29(37(44)38(32)56-40)10-11-35(31)50-17-12-24(20-50)39(52)48-57(53,54)42(2)14-15-42/h4-9,18-19,24-25,35,54H,10-17,20-22H2,1-3H3,(H,51,55);4-9,18-19,24-25,35,54H,10-17,20-22H2,1-3H3,(H,51,55);4-9,18-19,24-25,35,51H,10-17,20-22H2,1-3H3,(H,48,52)/t3*24-,25-,35-/m111/s1.
What are the key properties of (3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide?
(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide has a molecular weight of 2562.12 g/mol, XLogP of 21.45, 31 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-fluoro-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethoxy)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide;(3R)-1-[(5R)-2-[3-[2-chloro-3-[5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-6-methoxypyrazin-2-yl]phenyl]-2-methylphenyl]-8-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-5-yl]-N-(1-methylcyclopropyl)sulfonylpyrrolidine-3-carboxamide is sourced from PubChem (CID 167688289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).