N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethoxypyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methoxypyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C163H155Cl8F10N33O27 — CID 157344413

IUPACN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethoxypyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methoxypyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(F)(F)c1ccc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.COc1cnc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.COc1ncnc(OC)c1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1ncc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)c3cc4ccccn4n3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)c3cc4n(n3)CCCN4)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)c3cc4ncccn4n3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)c3ccc(N4CCCC4)cn3)(C1)C2
InChIInChI=1S/C23H24ClFN4O3.C21H19ClF3N3O3.C21H18ClFN4O3.C20H21ClFN5O3.C20H17ClFN5O3.C20H20ClFN4O5.C19H18ClFN4O4.C19H18ClFN4O3/c24-17-5-4-16(9-18(17)25)32-11-20(30)27-22-12-23(13-22,14-22)28-21(31)19-6-3-15(10-26-19)29-7-1-2-8-29;1-19(24,25)12-2-5-16(26-7-12)18(30)28-21-9-20(10-21,11-21)27-17(29)8-31-13-3-4-14(22)15(23)6-13;22-15-5-4-14(8-16(15)23)30-9-18(28)24-20-10-21(11-20,12-20)25-19(29)17-7-13-3-1-2-6-27(13)26-17;2*21-13-3-2-12(6-14(13)22)30-8-17(28)24-19-9-20(10-19,11-19)25-18(29)15-7-16-23-4-1-5-27(16)26-15;1-29-17-15(18(30-2)24-10-23-17)16(28)26-20-7-19(8-20,9-20)25-14(27)6-31-11-3-4-12(21)13(22)5-11;1-28-16-6-22-14(5-23-16)17(27)25-19-8-18(9-19,10-19)24-15(26)7-29-11-2-3-12(20)13(21)4-11;1-11-22-5-12(6-23-11)17(27)25-19-8-18(9-19,10-19)24-16(26)7-28-13-2-3-14(20)15(21)4-13/h3-6,9-10H,1-2,7-8,11-14H2,(H,27,30)(H,28,31);2-7H,8-11H2,1H3,(H,27,29)(H,28,30);1-8H,9-12H2,(H,24,28)(H,25,29);2-3,6-7,23H,1,4-5,8-11H2,(H,24,28)(H,25,29);1-7H,8-11H2,(H,24,28)(H,25,29);3-5,10H,6-9H2,1-2H3,(H,25,27)(H,26,28);2-6H,7-10H2,1H3,(H,24,26)(H,25,27);2-6H,7-10H2,1H3,(H,24,26)(H,25,27)
InChIKeyBGUBORBJKCXOJH-UHFFFAOYSA-N
MW3481.84 g/mol
LogP19.54
Rot. Bonds53

About N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethoxypyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methoxypyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethoxypyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methoxypyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 157344413) has the molecular formula C163H155Cl8F10N33O27 and a molecular weight of 3481.84 g/mol. Its IUPAC name is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethoxypyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methoxypyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethoxypyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methoxypyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID157344413
Molecular FormulaC163H155Cl8F10N33O27
Molecular Weight3481.84 g/mol
Exact Mass3475.91
IUPAC NameN-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethoxypyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methoxypyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(F)(F)c1ccc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.COc1cnc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.COc1ncnc(OC)c1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1ncc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)c3cc4ccccn4n3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)c3cc4n(n3)CCCN4)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)c3cc4ncccn4n3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)c3ccc(N4CCCC4)cn3)(C1)C2
InChIInChI=1S/C23H24ClFN4O3.C21H19ClF3N3O3.C21H18ClFN4O3.C20H21ClFN5O3.C20H17ClFN5O3.C20H20ClFN4O5.C19H18ClFN4O4.C19H18ClFN4O3/c24-17-5-4-16(9-18(17)25)32-11-20(30)27-22-12-23(13-22,14-22)28-21(31)19-6-3-15(10-26-19)29-7-1-2-8-29;1-19(24,25)12-2-5-16(26-7-12)18(30)28-21-9-20(10-21,11-21)27-17(29)8-31-13-3-4-14(22)15(23)6-13;22-15-5-4-14(8-16(15)23)30-9-18(28)24-20-10-21(11-20,12-20)25-19(29)17-7-13-3-1-2-6-27(13)26-17;2*21-13-3-2-12(6-14(13)22)30-8-17(28)24-19-9-20(10-19,11-19)25-18(29)15-7-16-23-4-1-5-27(16)26-15;1-29-17-15(18(30-2)24-10-23-17)16(28)26-20-7-19(8-20,9-20)25-14(27)6-31-11-3-4-12(21)13(22)5-11;1-28-16-6-22-14(5-23-16)17(27)25-19-8-18(9-19,10-19)24-15(26)7-29-11-2-3-12(20)13(21)4-11;1-11-22-5-12(6-23-11)17(27)25-19-8-18(9-19,10-19)24-16(26)7-28-13-2-3-14(20)15(21)4-13/h3-6,9-10H,1-2,7-8,11-14H2,(H,27,30)(H,28,31);2-7H,8-11H2,1H3,(H,27,29)(H,28,30);1-8H,9-12H2,(H,24,28)(H,25,29);2-3,6-7,23H,1,4-5,8-11H2,(H,24,28)(H,25,29);1-7H,8-11H2,(H,24,28)(H,25,29);3-5,10H,6-9H2,1-2H3,(H,25,27)(H,26,28);2-6H,7-10H2,1H3,(H,24,26)(H,25,27);2-6H,7-10H2,1H3,(H,24,26)(H,25,27)
InChIKeyBGUBORBJKCXOJH-UHFFFAOYSA-N
XLogP19.54
TPSA750.83 Ų
H-Bond Donors17
H-Bond Acceptors44
Rotatable Bonds53
Heavy Atoms241
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003481.84
LogP ≤ 519.54
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1044

Analyze N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethoxypyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methoxypyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethoxypyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methoxypyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethoxypyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methoxypyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 157344413) is N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethoxypyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methoxypyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethoxypyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methoxypyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethoxypyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methoxypyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(F)(F)c1ccc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)nc1.COc1cnc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.COc1ncnc(OC)c1C(=O)NC12CC(NC(=O)COc3ccc(Cl)c(F)c3)(C1)C2.Cc1ncc(C(=O)NC23CC(NC(=O)COc4ccc(Cl)c(F)c4)(C2)C3)cn1.O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)c3cc4ccccn4n3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)c3cc4n(n3)CCCN4)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)c3cc4ncccn4n3)(C1)C2.O=C(COc1ccc(Cl)c(F)c1)NC12CC(NC(=O)c3ccc(N4CCCC4)cn3)(C1)C2.
What is the InChIKey of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethoxypyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methoxypyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is BGUBORBJKCXOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O3.C21H19ClF3N3O3.C21H18ClFN4O3.C20H21ClFN5O3.C20H17ClFN5O3.C20H20ClFN4O5.C19H18ClFN4O4.C19H18ClFN4O3/c24-17-5-4-16(9-18(17)25)32-11-20(30)27-22-12-23(13-22,14-22)28-21(31)19-6-3-15(10-26-19)29-7-1-2-8-29;1-19(24,25)12-2-5-16(26-7-12)18(30)28-21-9-20(10-21,11-21)27-17(29)8-31-13-3-4-14(22)15(23)6-13;22-15-5-4-14(8-16(15)23)30-9-18(28)24-20-10-21(11-20,12-20)25-19(29)17-7-13-3-1-2-6-27(13)26-17;2*21-13-3-2-12(6-14(13)22)30-8-17(28)24-19-9-20(10-19,11-19)25-18(29)15-7-16-23-4-1-5-27(16)26-15;1-29-17-15(18(30-2)24-10-23-17)16(28)26-20-7-19(8-20,9-20)25-14(27)6-31-11-3-4-12(21)13(22)5-11;1-28-16-6-22-14(5-23-16)17(27)25-19-8-18(9-19,10-19)24-15(26)7-29-11-2-3-12(20)13(21)4-11;1-11-22-5-12(6-23-11)17(27)25-19-8-18(9-19,10-19)24-16(26)7-28-13-2-3-14(20)15(21)4-13/h3-6,9-10H,1-2,7-8,11-14H2,(H,27,30)(H,28,31);2-7H,8-11H2,1H3,(H,27,29)(H,28,30);1-8H,9-12H2,(H,24,28)(H,25,29);2-3,6-7,23H,1,4-5,8-11H2,(H,24,28)(H,25,29);1-7H,8-11H2,(H,24,28)(H,25,29);3-5,10H,6-9H2,1-2H3,(H,25,27)(H,26,28);2-6H,7-10H2,1H3,(H,24,26)(H,25,27);2-6H,7-10H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethoxypyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methoxypyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethoxypyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methoxypyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 3481.84 g/mol, XLogP of 19.54, 53 rotatable bonds, 17 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-(1,1-difluoroethyl)pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,6-dimethoxypyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methoxypyrazine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-methylpyrimidine-5-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide;N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 157344413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).