5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-4-fluoro-6-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-propyl-1-benzofuran-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-(2,2-difluoroethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

C188H178F10N16O20 — CID 161461876

IUPAC5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-4-fluoro-6-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-propyl-1-benzofuran-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-(2,2-difluoroethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
SMILESCCCc1cc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)CC23CC(C2)C3)c1.CCCc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1ccc(F)c(C(=O)CC23CC(C2)C3)c1.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(COC)c(-c3cccc(C(=O)CC45CC(C4)C5)c3)c(F)c12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC45CC(C4)C5)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cccc(C(=O)NC45CC(C4)C5)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)F)c(-c3cccc(C(=O)NC45CC(C4)C5)c3)cc12
InChIInChI=1S/C33H33NO3.C32H31FN2O3.C32H30FNO4.C31H29F3N4O4.C30H27F3N4O3.C30H28F2N4O3/c1-4-6-23-14-29-27(30(32(36)34-3)31(37-29)22-11-9-20(2)10-12-22)15-26(23)24-7-5-8-25(13-24)28(35)19-33-16-21(17-33)18-33;1-4-5-26-22(21-10-11-25(33)23(12-21)27(36)17-32-14-19(15-32)16-32)13-24-28(30(37)34-3)29(38-31(24)35-26)20-8-6-18(2)7-9-20;1-18-7-9-20(10-8-18)30-28(31(36)34-2)27-25(38-30)12-23(17-37-3)26(29(27)33)22-6-4-5-21(11-22)24(35)16-32-13-19(14-32)15-32;1-16-4-6-18(7-5-16)25-24(27(40)35-2)21-11-20(23(37-29(21)42-25)8-9-31(32,33)34)19-10-22(28(41-3)36-15-19)26(39)38-30-12-17(13-30)14-30;1-16-6-8-18(9-7-16)24-23(27(39)34-2)22-11-21(25(36-28(22)40-24)35-15-30(31,32)33)19-4-3-5-20(10-19)26(38)37-29-12-17(13-29)14-29;1-16-6-8-18(9-7-16)25-24(28(38)33-2)22-11-21(26(34-15-23(31)32)35-29(22)39-25)19-4-3-5-20(10-19)27(37)36-30-12-17(13-30)14-30/h5,7-15,21H,4,6,16-19H2,1-3H3,(H,34,36);6-13,19H,4-5,14-17H2,1-3H3,(H,34,37);4-12,19H,13-17H2,1-3H3,(H,34,36);4-7,10-11,15,17H,8-9,12-14H2,1-3H3,(H,35,40)(H,38,39);3-11,17H,12-15H2,1-2H3,(H,34,39)(H,35,36)(H,37,38);3-11,17,23H,12-15H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)
InChIKeyWBXPEPHMLVOUSY-UHFFFAOYSA-N
MW3171.56 g/mol
LogP40.03
Rot. Bonds47

About 5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-4-fluoro-6-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-propyl-1-benzofuran-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-(2,2-difluoroethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-4-fluoro-6-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-propyl-1-benzofuran-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-(2,2-difluoroethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 161461876) has the molecular formula C188H178F10N16O20 and a molecular weight of 3171.56 g/mol. Its IUPAC name is 5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-4-fluoro-6-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-propyl-1-benzofuran-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-(2,2-difluoroethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-4-fluoro-6-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-propyl-1-benzofuran-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-(2,2-difluoroethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
PubChem CID161461876
Molecular FormulaC188H178F10N16O20
Molecular Weight3171.56 g/mol
Exact Mass3169.32
IUPAC Name5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-4-fluoro-6-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-propyl-1-benzofuran-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-(2,2-difluoroethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
SMILESCCCc1cc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)CC23CC(C2)C3)c1.CCCc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1ccc(F)c(C(=O)CC23CC(C2)C3)c1.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(COC)c(-c3cccc(C(=O)CC45CC(C4)C5)c3)c(F)c12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC45CC(C4)C5)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cccc(C(=O)NC45CC(C4)C5)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)F)c(-c3cccc(C(=O)NC45CC(C4)C5)c3)cc12
InChIInChI=1S/C33H33NO3.C32H31FN2O3.C32H30FNO4.C31H29F3N4O4.C30H27F3N4O3.C30H28F2N4O3/c1-4-6-23-14-29-27(30(32(36)34-3)31(37-29)22-11-9-20(2)10-12-22)15-26(23)24-7-5-8-25(13-24)28(35)19-33-16-21(17-33)18-33;1-4-5-26-22(21-10-11-25(33)23(12-21)27(36)17-32-14-19(15-32)16-32)13-24-28(30(37)34-3)29(38-31(24)35-26)20-8-6-18(2)7-9-20;1-18-7-9-20(10-8-18)30-28(31(36)34-2)27-25(38-30)12-23(17-37-3)26(29(27)33)22-6-4-5-21(11-22)24(35)16-32-13-19(14-32)15-32;1-16-4-6-18(7-5-16)25-24(27(40)35-2)21-11-20(23(37-29(21)42-25)8-9-31(32,33)34)19-10-22(28(41-3)36-15-19)26(39)38-30-12-17(13-30)14-30;1-16-6-8-18(9-7-16)24-23(27(39)34-2)22-11-21(25(36-28(22)40-24)35-15-30(31,32)33)19-4-3-5-20(10-19)26(38)37-29-12-17(13-29)14-29;1-16-6-8-18(9-7-16)25-24(28(38)33-2)22-11-21(26(34-15-23(31)32)35-29(22)39-25)19-4-3-5-20(10-19)27(37)36-30-12-17(13-30)14-30/h5,7-15,21H,4,6,16-19H2,1-3H3,(H,34,36);6-13,19H,4-5,14-17H2,1-3H3,(H,34,37);4-12,19H,13-17H2,1-3H3,(H,34,36);4-7,10-11,15,17H,8-9,12-14H2,1-3H3,(H,35,40)(H,38,39);3-11,17H,12-15H2,1-2H3,(H,34,39)(H,35,36)(H,37,38);3-11,17,23H,12-15H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)
InChIKeyWBXPEPHMLVOUSY-UHFFFAOYSA-N
XLogP40.03
TPSA498.92 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds47
Heavy Atoms234
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003171.56
LogP ≤ 540.03
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Analyze 5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-4-fluoro-6-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-propyl-1-benzofuran-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-(2,2-difluoroethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide 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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-4-fluoro-6-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-propyl-1-benzofuran-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-(2,2-difluoroethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-4-fluoro-6-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-propyl-1-benzofuran-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-(2,2-difluoroethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (CID 161461876) is 5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-4-fluoro-6-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-propyl-1-benzofuran-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-(2,2-difluoroethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-4-fluoro-6-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-propyl-1-benzofuran-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-(2,2-difluoroethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-4-fluoro-6-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-propyl-1-benzofuran-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-(2,2-difluoroethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is CCCc1cc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1cccc(C(=O)CC23CC(C2)C3)c1.CCCc1nc2oc(-c3ccc(C)cc3)c(C(=O)NC)c2cc1-c1ccc(F)c(C(=O)CC23CC(C2)C3)c1.CNC(=O)c1c(-c2ccc(C)cc2)oc2cc(COC)c(-c3cccc(C(=O)CC45CC(C4)C5)c3)c(F)c12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(CCC(F)(F)F)c(-c3cnc(OC)c(C(=O)NC45CC(C4)C5)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)(F)F)c(-c3cccc(C(=O)NC45CC(C4)C5)c3)cc12.CNC(=O)c1c(-c2ccc(C)cc2)oc2nc(NCC(F)F)c(-c3cccc(C(=O)NC45CC(C4)C5)c3)cc12.
What is the InChIKey of 5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-4-fluoro-6-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-propyl-1-benzofuran-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-(2,2-difluoroethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is WBXPEPHMLVOUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33NO3.C32H31FN2O3.C32H30FNO4.C31H29F3N4O4.C30H27F3N4O3.C30H28F2N4O3/c1-4-6-23-14-29-27(30(32(36)34-3)31(37-29)22-11-9-20(2)10-12-22)15-26(23)24-7-5-8-25(13-24)28(35)19-33-16-21(17-33)18-33;1-4-5-26-22(21-10-11-25(33)23(12-21)27(36)17-32-14-19(15-32)16-32)13-24-28(30(37)34-3)29(38-31(24)35-26)20-8-6-18(2)7-9-20;1-18-7-9-20(10-8-18)30-28(31(36)34-2)27-25(38-30)12-23(17-37-3)26(29(27)33)22-6-4-5-21(11-22)24(35)16-32-13-19(14-32)15-32;1-16-4-6-18(7-5-16)25-24(27(40)35-2)21-11-20(23(37-29(21)42-25)8-9-31(32,33)34)19-10-22(28(41-3)36-15-19)26(39)38-30-12-17(13-30)14-30;1-16-6-8-18(9-7-16)24-23(27(39)34-2)22-11-21(25(36-28(22)40-24)35-15-30(31,32)33)19-4-3-5-20(10-19)26(38)37-29-12-17(13-29)14-29;1-16-6-8-18(9-7-16)25-24(28(38)33-2)22-11-21(26(34-15-23(31)32)35-29(22)39-25)19-4-3-5-20(10-19)27(37)36-30-12-17(13-30)14-30/h5,7-15,21H,4,6,16-19H2,1-3H3,(H,34,36);6-13,19H,4-5,14-17H2,1-3H3,(H,34,37);4-12,19H,13-17H2,1-3H3,(H,34,36);4-7,10-11,15,17H,8-9,12-14H2,1-3H3,(H,35,40)(H,38,39);3-11,17H,12-15H2,1-2H3,(H,34,39)(H,35,36)(H,37,38);3-11,17,23H,12-15H2,1-2H3,(H,33,38)(H,34,35)(H,36,37).
What are the key properties of 5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-4-fluoro-6-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-propyl-1-benzofuran-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-(2,2-difluoroethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-4-fluoro-6-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-propyl-1-benzofuran-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-(2,2-difluoroethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 3171.56 g/mol, XLogP of 40.03, 47 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-fluorophenyl]-N-methyl-2-(4-methylphenyl)-6-propylfuro[2,3-b]pyridine-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-4-fluoro-6-(methoxymethyl)-N-methyl-2-(4-methylphenyl)-1-benzofuran-3-carboxamide;5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-N-methyl-2-(4-methylphenyl)-6-propyl-1-benzofuran-3-carboxamide;5-[5-(1-bicyclo[1.1.1]pentanylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-6-(2,2-difluoroethylamino)-N-methyl-2-(4-methylphenyl)furo[2,3-b]pyridine-3-carboxamide;5-[3-(1-bicyclo[1.1.1]pentanylcarbamoyl)phenyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 161461876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).