3-[2-[3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[(3R,4R)-1-(2-cyclopropylpropanoyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1,4-dimethyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile

C119H134F4N16O5 — CID 160775415

IUPAC3-[2-[3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[(3R,4R)-1-(2-cyclopropylpropanoyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1,4-dimethyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile
SMILESC=C(C(C)C)N1CC[C@@H](c2cn(C)c3ncc(CC(=O)c4cccc(C#N)c4)c(C)c23)[C@@H](C)C1.C=C(C(C)C)N1CC[C@@H](c2cn(C)c3ncc(CC(=O)c4cccc(C#N)c4F)c(C(F)(F)F)c23)[C@@H](C)C1.C=C(C1CCCC1)N1CC[C@@H](c2cn(C)c3ncc(CC(=O)c4cccc(C#N)c4)c(C)c23)[C@@H](C)C1.Cc1c(CC(=O)c2cccc(C#N)c2)cnc2c1c([C@@H]1CCN(C(=O)C(C)C3CC3)C[C@@H]1C)cn2C
InChIInChI=1S/C31H36N4O.C30H34N4O2.C29H30F4N4O.C29H34N4O/c1-20-18-35(22(3)24-9-5-6-10-24)13-12-27(20)28-19-34(4)31-30(28)21(2)26(17-33-31)15-29(36)25-11-7-8-23(14-25)16-32;1-18-16-34(30(36)20(3)22-8-9-22)11-10-25(18)26-17-33(4)29-28(26)19(2)24(15-32-29)13-27(35)23-7-5-6-21(12-23)14-31;1-16(2)18(4)37-10-9-21(17(3)14-37)23-15-36(5)28-25(23)26(29(31,32)33)20(13-35-28)11-24(38)22-8-6-7-19(12-34)27(22)30;1-18(2)21(5)33-11-10-25(19(3)16-33)26-17-32(6)29-28(26)20(4)24(15-31-29)13-27(34)23-9-7-8-22(12-23)14-30/h7-8,11,14,17,19-20,24,27H,3,5-6,9-10,12-13,15,18H2,1-2,4H3;5-7,12,15,17-18,20,22,25H,8-11,13,16H2,1-4H3;6-8,13,15-17,21H,4,9-11,14H2,1-3,5H3;7-9,12,15,17-19,25H,5,10-11,13,16H2,1-4,6H3/t20-,27+;18-,20?,25+;17-,21+;19-,25+/m0000/s1
InChIKeyRZWMEQOSLBKJPA-WWSPBLFXSA-N
MW1944.48 g/mol
LogP23.88
Rot. Bonds24

About 3-[2-[3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[(3R,4R)-1-(2-cyclopropylpropanoyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1,4-dimethyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile

3-[2-[3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[(3R,4R)-1-(2-cyclopropylpropanoyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1,4-dimethyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile (PubChem CID 160775415) has the molecular formula C119H134F4N16O5 and a molecular weight of 1944.48 g/mol. Its IUPAC name is 3-[2-[3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[(3R,4R)-1-(2-cyclopropylpropanoyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1,4-dimethyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile.

Molecular Properties

Compound Name3-[2-[3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[(3R,4R)-1-(2-cyclopropylpropanoyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1,4-dimethyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile
PubChem CID160775415
Molecular FormulaC119H134F4N16O5
Molecular Weight1944.48 g/mol
Exact Mass1943.07
IUPAC Name3-[2-[3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[(3R,4R)-1-(2-cyclopropylpropanoyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1,4-dimethyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile
SMILESC=C(C(C)C)N1CC[C@@H](c2cn(C)c3ncc(CC(=O)c4cccc(C#N)c4)c(C)c23)[C@@H](C)C1.C=C(C(C)C)N1CC[C@@H](c2cn(C)c3ncc(CC(=O)c4cccc(C#N)c4F)c(C(F)(F)F)c23)[C@@H](C)C1.C=C(C1CCCC1)N1CC[C@@H](c2cn(C)c3ncc(CC(=O)c4cccc(C#N)c4)c(C)c23)[C@@H](C)C1.Cc1c(CC(=O)c2cccc(C#N)c2)cnc2c1c([C@@H]1CCN(C(=O)C(C)C3CC3)C[C@@H]1C)cn2C
InChIInChI=1S/C31H36N4O.C30H34N4O2.C29H30F4N4O.C29H34N4O/c1-20-18-35(22(3)24-9-5-6-10-24)13-12-27(20)28-19-34(4)31-30(28)21(2)26(17-33-31)15-29(36)25-11-7-8-23(14-25)16-32;1-18-16-34(30(36)20(3)22-8-9-22)11-10-25(18)26-17-33(4)29-28(26)19(2)24(15-32-29)13-27(35)23-7-5-6-21(12-23)14-31;1-16(2)18(4)37-10-9-21(17(3)14-37)23-15-36(5)28-25(23)26(29(31,32)33)20(13-35-28)11-24(38)22-8-6-7-19(12-34)27(22)30;1-18(2)21(5)33-11-10-25(19(3)16-33)26-17-32(6)29-28(26)20(4)24(15-31-29)13-27(34)23-9-7-8-22(12-23)14-30/h7-8,11,14,17,19-20,24,27H,3,5-6,9-10,12-13,15,18H2,1-2,4H3;5-7,12,15,17-18,20,22,25H,8-11,13,16H2,1-4H3;6-8,13,15-17,21H,4,9-11,14H2,1-3,5H3;7-9,12,15,17-19,25H,5,10-11,13,16H2,1-4,6H3/t20-,27+;18-,20?,25+;17-,21+;19-,25+/m0000/s1
InChIKeyRZWMEQOSLBKJPA-WWSPBLFXSA-N
XLogP23.88
TPSA264.75 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001944.48
LogP ≤ 523.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 3-[2-[3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[(3R,4R)-1-(2-cyclopropylpropanoyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1,4-dimethyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile with MolForge

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Related Compounds

3-cyano-N-[3-[1-(2-cyclobutylacetyl)-2,2-dimethylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]benzamide;3-cyano-N-[3-[(5R)-3-(cyclopentanecarbonyl)-3-azabicyclo[3.2.1]octan-8-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 145051004
3-[2-[3-[1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carbonyl]piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile
CID 146799785
3-[2-[3-[1-(2-Cyclohexylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile
CID 146869963
3-[2-[3-[(4R)-1-(cyclopentanecarbonyl)-2,2-dimethylpiperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile
CID 147118546
2-[[4-[4-amino-7-[(3R)-1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]-6-methylpyrrolo[2,3-d]pyrimidin-5-yl]benzoyl]amino]-N-[[[(E)-4-[(3R)-3-[4-amino-6-methyl-5-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]pyrrolidin-1-yl]-4-oxobut-2-enyl]-cyclopropylamino]methyl]pyridine-4-carbonitrilium
CID 147122248
3-[2-[3-[1-(2-Cyclopropylpropanoyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile
CID 147560581
3-[2-[3-[1-(Cyclopentanecarbonyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile
CID 148019270
2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(2-methylpropanoyl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile
CID 149130943
5-[2-[3-[1-(Cyclopentanecarbonyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]-2-fluorobenzonitrile
CID 149528864
3-[2-[3-[1-(2-Cyclopropylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile
CID 149576851
(3S)-3'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-5-carbonitrile;(6S)-3-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-phenylpiperidin-3-yl]acetyl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,5'-7H-pyrrolo[2,3-d]pyrimidine]-6'-one;(3S)-3'-[2-[(3R,5S,6R)-1-ethyl-6-methyl-2-oxo-5-(2,3,5-trifluorophenyl)piperidin-3-yl]acetyl]spiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-2-one;(6S)-3-[2-[(3R,5S,6R)-6-methyl-2-oxo-5-phenyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidin-3-yl]acetyl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,5'-7H-pyrrolo[2,3-d]pyrimidine]-6'-one
CID 157267903
3-[2-[3-[1-[1-[(3aS,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-2-yl]ethenyl]piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[1-(2-cyclobutylacetyl)piperidin-4-yl]-1-methyl-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1-methyl-4-(trifluoromethyl)-3-[1-(4,4,5-trimethylhex-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile
CID 157301630

Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[(3R,4R)-1-(2-cyclopropylpropanoyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1,4-dimethyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile?
The IUPAC name of 3-[2-[3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[(3R,4R)-1-(2-cyclopropylpropanoyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1,4-dimethyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile (CID 160775415) is 3-[2-[3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[(3R,4R)-1-(2-cyclopropylpropanoyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1,4-dimethyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile.
What is the SMILES notation for 3-[2-[3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[(3R,4R)-1-(2-cyclopropylpropanoyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1,4-dimethyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile?
The canonical SMILES for 3-[2-[3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[(3R,4R)-1-(2-cyclopropylpropanoyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1,4-dimethyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile is C=C(C(C)C)N1CC[C@@H](c2cn(C)c3ncc(CC(=O)c4cccc(C#N)c4)c(C)c23)[C@@H](C)C1.C=C(C(C)C)N1CC[C@@H](c2cn(C)c3ncc(CC(=O)c4cccc(C#N)c4F)c(C(F)(F)F)c23)[C@@H](C)C1.C=C(C1CCCC1)N1CC[C@@H](c2cn(C)c3ncc(CC(=O)c4cccc(C#N)c4)c(C)c23)[C@@H](C)C1.Cc1c(CC(=O)c2cccc(C#N)c2)cnc2c1c([C@@H]1CCN(C(=O)C(C)C3CC3)C[C@@H]1C)cn2C.
What is the InChIKey of 3-[2-[3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[(3R,4R)-1-(2-cyclopropylpropanoyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1,4-dimethyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile?
The InChIKey is RZWMEQOSLBKJPA-WWSPBLFXSA-N. The full InChI is InChI=1S/C31H36N4O.C30H34N4O2.C29H30F4N4O.C29H34N4O/c1-20-18-35(22(3)24-9-5-6-10-24)13-12-27(20)28-19-34(4)31-30(28)21(2)26(17-33-31)15-29(36)25-11-7-8-23(14-25)16-32;1-18-16-34(30(36)20(3)22-8-9-22)11-10-25(18)26-17-33(4)29-28(26)19(2)24(15-32-29)13-27(35)23-7-5-6-21(12-23)14-31;1-16(2)18(4)37-10-9-21(17(3)14-37)23-15-36(5)28-25(23)26(29(31,32)33)20(13-35-28)11-24(38)22-8-6-7-19(12-34)27(22)30;1-18(2)21(5)33-11-10-25(19(3)16-33)26-17-32(6)29-28(26)20(4)24(15-31-29)13-27(34)23-9-7-8-22(12-23)14-30/h7-8,11,14,17,19-20,24,27H,3,5-6,9-10,12-13,15,18H2,1-2,4H3;5-7,12,15,17-18,20,22,25H,8-11,13,16H2,1-4H3;6-8,13,15-17,21H,4,9-11,14H2,1-3,5H3;7-9,12,15,17-19,25H,5,10-11,13,16H2,1-4,6H3/t20-,27+;18-,20?,25+;17-,21+;19-,25+/m0000/s1.
What are the key properties of 3-[2-[3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[(3R,4R)-1-(2-cyclopropylpropanoyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1,4-dimethyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile?
3-[2-[3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[(3R,4R)-1-(2-cyclopropylpropanoyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1,4-dimethyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile has a molecular weight of 1944.48 g/mol, XLogP of 23.88, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-[(3R,4R)-1-(1-cyclopentylethenyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[3-[(3R,4R)-1-(2-cyclopropylpropanoyl)-3-methylpiperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;3-[2-[1,4-dimethyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile;2-fluoro-3-[2-[1-methyl-3-[(3R,4R)-3-methyl-1-(3-methylbut-1-en-2-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]acetyl]benzonitrile is sourced from PubChem (CID 160775415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).