2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;1-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]propan-2-one

C92H89Cl5F5N13O9 — CID 161328416

IUPAC2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;1-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]propan-2-one
SMILESCC(F)(F)c1ccc(OCC(=O)CC23CC(Nc4ccnc5cc(Cl)ccc45)(C2)C3)cn1.CC(F)n1cc(-c2ccnc(CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)n2)cn1.CCOc1cc(C)nc(CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cc(OCC(=O)CC23CC(Nc4ccnc5cc(Cl)ccc45)(C2)C3)ccc1Cl
InChIInChI=1S/C24H22Cl2N2O2.C24H22ClF2N3O2.C23H22ClF2N5O2.C21H23ClFN3O3/c1-15-8-18(3-5-20(15)26)30-11-17(29)10-23-12-24(13-23,14-23)28-21-6-7-27-22-9-16(25)2-4-19(21)22;1-22(26,27)21-5-3-17(10-29-21)32-11-16(31)9-23-12-24(13-23,14-23)30-19-6-7-28-20-8-15(25)2-4-18(19)20;1-14(25)31-9-15(8-28-31)19-4-5-27-20(29-19)7-22-11-23(12-22,13-22)30-21(32)10-33-16-2-3-17(24)18(26)6-16;1-3-28-19-6-13(2)24-17(25-19)8-20-10-21(11-20,12-20)26-18(27)9-29-14-4-5-15(22)16(23)7-14/h2-9H,10-14H2,1H3,(H,27,28);2-8,10H,9,11-14H2,1H3,(H,28,30);2-6,8-9,14H,7,10-13H2,1H3,(H,30,32);4-7H,3,8-12H2,1-2H3,(H,26,27)
InChIKeyVLBWZLCYSMLEJS-UHFFFAOYSA-N
MW1793.06 g/mol
LogP19.91
Rot. Bonds31

About 2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;1-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]propan-2-one

2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;1-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]propan-2-one (PubChem CID 161328416) has the molecular formula C92H89Cl5F5N13O9 and a molecular weight of 1793.06 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;1-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]propan-2-one.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;1-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]propan-2-one
PubChem CID161328416
Molecular FormulaC92H89Cl5F5N13O9
Molecular Weight1793.06 g/mol
Exact Mass1789.53
IUPAC Name2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;1-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]propan-2-one
SMILESCC(F)(F)c1ccc(OCC(=O)CC23CC(Nc4ccnc5cc(Cl)ccc45)(C2)C3)cn1.CC(F)n1cc(-c2ccnc(CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)n2)cn1.CCOc1cc(C)nc(CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cc(OCC(=O)CC23CC(Nc4ccnc5cc(Cl)ccc45)(C2)C3)ccc1Cl
InChIInChI=1S/C24H22Cl2N2O2.C24H22ClF2N3O2.C23H22ClF2N5O2.C21H23ClFN3O3/c1-15-8-18(3-5-20(15)26)30-11-17(29)10-23-12-24(13-23,14-23)28-21-6-7-27-22-9-16(25)2-4-19(21)22;1-22(26,27)21-5-3-17(10-29-21)32-11-16(31)9-23-12-24(13-23,14-23)30-19-6-7-28-20-8-15(25)2-4-18(19)20;1-14(25)31-9-15(8-28-31)19-4-5-27-20(29-19)7-22-11-23(12-22,13-22)30-21(32)10-33-16-2-3-17(24)18(26)6-16;1-3-28-19-6-13(2)24-17(25-19)8-20-10-21(11-20,12-20)26-18(27)9-29-14-4-5-15(22)16(23)7-14/h2-9H,10-14H2,1H3,(H,27,28);2-8,10H,9,11-14H2,1H3,(H,28,30);2-6,8-9,14H,7,10-13H2,1H3,(H,30,32);4-7H,3,8-12H2,1-2H3,(H,26,27)
InChIKeyVLBWZLCYSMLEJS-UHFFFAOYSA-N
XLogP19.91
TPSA270.60 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds31
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001793.06
LogP ≤ 519.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;1-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;N-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]acetamide
CID 165032987
N-[3-[(5-chloro-1,3-benzoxazol-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]-2-(4-chloro-3-methylphenoxy)acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-(1-methylpyrazol-4-yl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(4-phenylpyrimidin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 165019725
2-(4-chloro-3-fluorophenoxy)-N-[3-[[5-(1-fluoroethyl)pyrimidin-2-yl]amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(3-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[(6-methylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-methylphenoxy)-N-[3-[(6-cyclopropylpyrazin-2-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(3-fluorophenoxy)-N-[3-[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 165042605

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;1-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]propan-2-one?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;1-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]propan-2-one (CID 161328416) is 2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;1-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]propan-2-one.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;1-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]propan-2-one?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;1-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]propan-2-one is CC(F)(F)c1ccc(OCC(=O)CC23CC(Nc4ccnc5cc(Cl)ccc45)(C2)C3)cn1.CC(F)n1cc(-c2ccnc(CC34CC(NC(=O)COc5ccc(Cl)c(F)c5)(C3)C4)n2)cn1.CCOc1cc(C)nc(CC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)n1.Cc1cc(OCC(=O)CC23CC(Nc4ccnc5cc(Cl)ccc45)(C2)C3)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;1-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]propan-2-one?
The InChIKey is VLBWZLCYSMLEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O2.C24H22ClF2N3O2.C23H22ClF2N5O2.C21H23ClFN3O3/c1-15-8-18(3-5-20(15)26)30-11-17(29)10-23-12-24(13-23,14-23)28-21-6-7-27-22-9-16(25)2-4-19(21)22;1-22(26,27)21-5-3-17(10-29-21)32-11-16(31)9-23-12-24(13-23,14-23)30-19-6-7-28-20-8-15(25)2-4-18(19)20;1-14(25)31-9-15(8-28-31)19-4-5-27-20(29-19)7-22-11-23(12-22,13-22)30-21(32)10-33-16-2-3-17(24)18(26)6-16;1-3-28-19-6-13(2)24-17(25-19)8-20-10-21(11-20,12-20)26-18(27)9-29-14-4-5-15(22)16(23)7-14/h2-9H,10-14H2,1H3,(H,27,28);2-8,10H,9,11-14H2,1H3,(H,28,30);2-6,8-9,14H,7,10-13H2,1H3,(H,30,32);4-7H,3,8-12H2,1-2H3,(H,26,27).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;1-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]propan-2-one?
2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;1-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]propan-2-one has a molecular weight of 1793.06 g/mol, XLogP of 19.91, 31 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-N-[3-[(4-ethoxy-6-methylpyrimidin-2-yl)methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;2-(4-chloro-3-fluorophenoxy)-N-[3-[[4-[1-(1-fluoroethyl)pyrazol-4-yl]pyrimidin-2-yl]methyl]-1-bicyclo[1.1.1]pentanyl]acetamide;1-(4-chloro-3-methylphenoxy)-3-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]propan-2-one;1-[3-[(7-chloroquinolin-4-yl)amino]-1-bicyclo[1.1.1]pentanyl]-3-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]propan-2-one is sourced from PubChem (CID 161328416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).