N-[[5-[2-[2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide

C110H96ClF18N13O10 — CID 159820636

IUPACN-[[5-[2-[2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)Cc2ccc3c(c2)CN(c2ccc(C(F)(F)F)cc2)C3)c1.CC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)Cc2ccc3oc(-c4ccc(C(F)(F)F)cc4)cc3c2)c1.CC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)Nc2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)c1.CCn1c(-c2cccc(Cl)c2)cc2nc(CC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc21
InChIInChI=1S/C28H26ClF3N4O2.C28H26F5N3O2.C28H23F5N2O3.C26H21F5N4O3/c1-4-36-22-9-8-19(35-21(22)13-23(36)17-6-5-7-18(29)11-17)12-24(37)20-10-16(14-33-25(20)26(30)31)15-34-27(38)28(2,3)32;1-16(2)27(38)35-13-18-10-23(25(26(29)30)34-12-18)24(37)11-17-3-4-19-14-36(15-20(19)9-17)22-7-5-21(6-8-22)28(31,32)33;1-15(2)27(37)35-14-17-10-21(25(26(29)30)34-13-17)22(36)11-16-3-8-23-19(9-16)12-24(38-23)18-4-6-20(7-5-18)28(31,32)33;1-13(2)23(36)33-12-14-9-18(21(22(27)28)32-11-14)24(37)34-17-7-8-20-19(10-17)35-25(38-20)15-3-5-16(6-4-15)26(29,30)31/h5-11,13-14,26H,4,12,15H2,1-3H3,(H,34,38);3-10,12,16,26H,11,13-15H2,1-2H3,(H,35,38);3-10,12-13,15,26H,11,14H2,1-2H3,(H,35,37);3-11,13,22H,12H2,1-2H3,(H,33,36)(H,34,37)
InChIKeyNMENIKRZIRIWCW-UHFFFAOYSA-N
MW2137.48 g/mol
LogP26.27
Rot. Bonds32

About N-[[5-[2-[2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide

N-[[5-[2-[2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide (PubChem CID 159820636) has the molecular formula C110H96ClF18N13O10 and a molecular weight of 2137.48 g/mol. Its IUPAC name is N-[[5-[2-[2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[5-[2-[2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide
PubChem CID159820636
Molecular FormulaC110H96ClF18N13O10
Molecular Weight2137.48 g/mol
Exact Mass2135.68
IUPAC NameN-[[5-[2-[2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)Cc2ccc3c(c2)CN(c2ccc(C(F)(F)F)cc2)C3)c1.CC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)Cc2ccc3oc(-c4ccc(C(F)(F)F)cc4)cc3c2)c1.CC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)Nc2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)c1.CCn1c(-c2cccc(Cl)c2)cc2nc(CC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc21
InChIInChI=1S/C28H26ClF3N4O2.C28H26F5N3O2.C28H23F5N2O3.C26H21F5N4O3/c1-4-36-22-9-8-19(35-21(22)13-23(36)17-6-5-7-18(29)11-17)12-24(37)20-10-16(14-33-25(20)26(30)31)15-34-27(38)28(2,3)32;1-16(2)27(38)35-13-18-10-23(25(26(29)30)34-12-18)24(37)11-17-3-4-19-14-36(15-20(19)9-17)22-7-5-21(6-8-22)28(31,32)33;1-15(2)27(37)35-14-17-10-21(25(26(29)30)34-13-17)22(36)11-16-3-8-23-19(9-16)12-24(38-23)18-4-6-20(7-5-18)28(31,32)33;1-13(2)23(36)33-12-14-9-18(21(22(27)28)32-11-14)24(37)34-17-7-8-20-19(10-17)35-25(38-20)15-3-5-16(6-4-15)26(29,30)31/h5-11,13-14,26H,4,12,15H2,1-3H3,(H,34,38);3-10,12,16,26H,11,13-15H2,1-2H3,(H,35,38);3-10,12-13,15,26H,11,14H2,1-2H3,(H,35,37);3-11,13,22H,12H2,1-2H3,(H,33,36)(H,34,37)
InChIKeyNMENIKRZIRIWCW-UHFFFAOYSA-N
XLogP26.27
TPSA308.50 Ų
H-Bond Donors5
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002137.48
LogP ≤ 526.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1018

Analyze N-[[5-[2-[2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide with MolForge

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Related Compounds

CID 158849447
CID 158849447
N-[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]-2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]pyridine-3-carboxamide;1-[5-[2-[2-(4-chlorophenyl)-1-[(3R)-oxolan-3-yl]indol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;1-[5-[2-[2-(4-chlorophenyl)-1-[(3S)-oxolan-3-yl]indol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]-4-fluoro-4-methylpentan-3-one;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one
CID 159338498
2-chloro-5-[(2,2-dimethylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]benzamide;N-[[5-[2-[2-(4-chlorophenyl)-1-methylindol-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;2-(difluoromethyl)-5-[[(2-fluoro-2-methylpropanoyl)amino]methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]indazol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide
CID 162026805
2-[2,6-Di(propan-2-yl)phenyl]-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;2-(4-fluorophenyl)-5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;methane;5-methyl-2-phenyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium;5-methyl-6-(2,3,5-trimethylphenyl)-[1,3]oxazolo[4,5-c]pyridin-5-ium
CID 157521072
2-[(3S)-1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-chloro-5-fluoro-4-methylphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-4-pyridinyl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-6-yl)-1H-isoindol-5-yl]ethanone
CID 158688316
6-[3-[3-[3-([1]Benzofuro[2,3-c]pyridin-7-yl)phenoxy]phenyl]phenyl]-[1]benzofuro[2,3-c]pyridine;3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]-6-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]pyridine;6-[3-[2-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-8-yl]phenyl]-[1]benzofuro[2,3-c]pyridine;6-[3-[8-[3-[3-([1]benzofuro[2,3-c]pyridin-6-yl)phenyl]phenyl]-5-phenylpyrido[3,2-b]indol-2-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 159656381
1-[3-chloro-4-[(5-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[(7-fluoro-1,3-benzoxazol-2-yl)methyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(5-fluoro-1-methylindol-3-yl)-2-oxoethyl]phenyl]-3-methylbutan-2-one;1-[3-chloro-4-[2-(1-methylindol-3-yl)acetyl]phenyl]-3-methylbutan-2-one;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]-6-fluoro-2,3-dihydroindole-1-carboxamide;N-[2-chloro-4-(3-methyl-2-oxobutyl)phenyl]isoquinoline-1-carboxamide;N-[2-chloro-6-(3-methyl-2-oxobutyl)-3-pyridinyl]isoquinoline-1-carboxamide
CID 160000373
3-(9H-carbazol-3-yl)-9-phenylcarbazole;bis(15-(3-chlorophenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene);15-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 160715918

Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[5-[2-[2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide (CID 159820636) is N-[[5-[2-[2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[5-[2-[2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[5-[2-[2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)Cc2ccc3c(c2)CN(c2ccc(C(F)(F)F)cc2)C3)c1.CC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)Cc2ccc3oc(-c4ccc(C(F)(F)F)cc4)cc3c2)c1.CC(C)C(=O)NCc1cnc(C(F)F)c(C(=O)Nc2ccc3oc(-c4ccc(C(F)(F)F)cc4)nc3c2)c1.CCn1c(-c2cccc(Cl)c2)cc2nc(CC(=O)c3cc(CNC(=O)C(C)(C)F)cnc3C(F)F)ccc21.
What is the InChIKey of N-[[5-[2-[2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide?
The InChIKey is NMENIKRZIRIWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClF3N4O2.C28H26F5N3O2.C28H23F5N2O3.C26H21F5N4O3/c1-4-36-22-9-8-19(35-21(22)13-23(36)17-6-5-7-18(29)11-17)12-24(37)20-10-16(14-33-25(20)26(30)31)15-34-27(38)28(2,3)32;1-16(2)27(38)35-13-18-10-23(25(26(29)30)34-12-18)24(37)11-17-3-4-19-14-36(15-20(19)9-17)22-7-5-21(6-8-22)28(31,32)33;1-15(2)27(37)35-14-17-10-21(25(26(29)30)34-13-17)22(36)11-16-3-8-23-19(9-16)12-24(38-23)18-4-6-20(7-5-18)28(31,32)33;1-13(2)23(36)33-12-14-9-18(21(22(27)28)32-11-14)24(37)34-17-7-8-20-19(10-17)35-25(38-20)15-3-5-16(6-4-15)26(29,30)31/h5-11,13-14,26H,4,12,15H2,1-3H3,(H,34,38);3-10,12,16,26H,11,13-15H2,1-2H3,(H,35,38);3-10,12-13,15,26H,11,14H2,1-2H3,(H,35,37);3-11,13,22H,12H2,1-2H3,(H,33,36)(H,34,37).
What are the key properties of N-[[5-[2-[2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide?
N-[[5-[2-[2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide has a molecular weight of 2137.48 g/mol, XLogP of 26.27, 32 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[2-(3-chlorophenyl)-1-ethylpyrrolo[3,2-b]pyridin-5-yl]acetyl]-6-(difluoromethyl)-3-pyridinyl]methyl]-2-fluoro-2-methylpropanamide;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]pyridine-3-carboxamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide;N-[[6-(difluoromethyl)-5-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-5-yl]acetyl]-3-pyridinyl]methyl]-2-methylpropanamide is sourced from PubChem (CID 159820636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).