6-[1-[4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile;6-[1-[4-(3,4-dichlorophenyl)-1-(6-methylsulfonylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile

C52H44Cl4N10O6S — CID 87558525

IUPAC6-[1-[4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile;6-[1-[4-(3,4-dichlorophenyl)-1-(6-methylsulfonylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
SMILESCC(Oc1ccc(C#N)cn1)C1CN(C(=O)c2ccc(-n3ccnc3)nc2)CC1c1ccc(Cl)c(Cl)c1.CC(Oc1ccc(C#N)cn1)C1CN(C(=O)c2ccc(S(C)(=O)=O)nc2)CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C27H22Cl2N6O2.C25H22Cl2N4O4S/c1-17(37-26-7-2-18(11-30)12-33-26)21-14-35(15-22(21)19-3-5-23(28)24(29)10-19)27(36)20-4-6-25(32-13-20)34-9-8-31-16-34;1-15(35-23-7-3-16(10-28)11-29-23)19-13-31(14-20(19)17-4-6-21(26)22(27)9-17)25(32)18-5-8-24(30-12-18)36(2,33)34/h2-10,12-13,16-17,21-22H,14-15H2,1H3;3-9,11-12,15,19-20H,13-14H2,1-2H3
InChIKeyKFLFTBJKFXXPTA-UHFFFAOYSA-N
MW1078.87 g/mol
LogP9.55
Rot. Bonds12

About 6-[1-[4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile;6-[1-[4-(3,4-dichlorophenyl)-1-(6-methylsulfonylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile

6-[1-[4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile;6-[1-[4-(3,4-dichlorophenyl)-1-(6-methylsulfonylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile (PubChem CID 87558525) has the molecular formula C52H44Cl4N10O6S and a molecular weight of 1078.87 g/mol. Its IUPAC name is 6-[1-[4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile;6-[1-[4-(3,4-dichlorophenyl)-1-(6-methylsulfonylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile;6-[1-[4-(3,4-dichlorophenyl)-1-(6-methylsulfonylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
PubChem CID87558525
Molecular FormulaC52H44Cl4N10O6S
Molecular Weight1078.87 g/mol
Exact Mass1076.19
IUPAC Name6-[1-[4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile;6-[1-[4-(3,4-dichlorophenyl)-1-(6-methylsulfonylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
SMILESCC(Oc1ccc(C#N)cn1)C1CN(C(=O)c2ccc(-n3ccnc3)nc2)CC1c1ccc(Cl)c(Cl)c1.CC(Oc1ccc(C#N)cn1)C1CN(C(=O)c2ccc(S(C)(=O)=O)nc2)CC1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C27H22Cl2N6O2.C25H22Cl2N4O4S/c1-17(37-26-7-2-18(11-30)12-33-26)21-14-35(15-22(21)19-3-5-23(28)24(29)10-19)27(36)20-4-6-25(32-13-20)34-9-8-31-16-34;1-15(35-23-7-3-16(10-28)11-29-23)19-13-31(14-20(19)17-4-6-21(26)22(27)9-17)25(32)18-5-8-24(30-12-18)36(2,33)34/h2-10,12-13,16-17,21-22H,14-15H2,1H3;3-9,11-12,15,19-20H,13-14H2,1-2H3
InChIKeyKFLFTBJKFXXPTA-UHFFFAOYSA-N
XLogP9.55
TPSA210.18 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001078.87
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 6-[1-[4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile;6-[1-[4-(3,4-dichlorophenyl)-1-(6-methylsulfonylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[(1S)-1-[(4S)-4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 143758992
4-[(3S,4S)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]benzonitrile
CID 67131449
3-[1-[(5-cyano-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl chloride
CID 86628181
6-[(1S)-1-[(4S)-4-(3-chloro-4-fluorophenyl)-1-(2-methylpyrimidine-5-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 143759010
5-[(3S,4S)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]pyridine-2-carbonitrile
CID 67131399
6-[1-[4-(3,4-dichlorophenyl)-1-(4-methylsulfonylpiperazine-1-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 67327849
6-[1-[1-(azetidine-3-carbonyl)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 66999928
6-[(1S)-1-[(4S)-1-(1-acetylpiperidine-4-carbonyl)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 143907652
(6-amino-3-pyridinyl)-[(4R)-3-[(1R)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]-4-(3,4-dichlorophenyl)pyrrolidin-1-yl]methanone
CID 143759060
6-[(1S)-1-[(4S)-1-(4-cyanopiperidine-1-carbonyl)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 25211569
(6-chloro-3-pyridinyl)-[3-(3,4-dichlorophenyl)-4-[1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyrrolidin-1-yl]methanone
CID 76609440
6-[1-[4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 66999659

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile;6-[1-[4-(3,4-dichlorophenyl)-1-(6-methylsulfonylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-[4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile;6-[1-[4-(3,4-dichlorophenyl)-1-(6-methylsulfonylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile (CID 87558525) is 6-[1-[4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile;6-[1-[4-(3,4-dichlorophenyl)-1-(6-methylsulfonylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile;6-[1-[4-(3,4-dichlorophenyl)-1-(6-methylsulfonylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile;6-[1-[4-(3,4-dichlorophenyl)-1-(6-methylsulfonylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile is CC(Oc1ccc(C#N)cn1)C1CN(C(=O)c2ccc(-n3ccnc3)nc2)CC1c1ccc(Cl)c(Cl)c1.CC(Oc1ccc(C#N)cn1)C1CN(C(=O)c2ccc(S(C)(=O)=O)nc2)CC1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 6-[1-[4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile;6-[1-[4-(3,4-dichlorophenyl)-1-(6-methylsulfonylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile?
The InChIKey is KFLFTBJKFXXPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22Cl2N6O2.C25H22Cl2N4O4S/c1-17(37-26-7-2-18(11-30)12-33-26)21-14-35(15-22(21)19-3-5-23(28)24(29)10-19)27(36)20-4-6-25(32-13-20)34-9-8-31-16-34;1-15(35-23-7-3-16(10-28)11-29-23)19-13-31(14-20(19)17-4-6-21(26)22(27)9-17)25(32)18-5-8-24(30-12-18)36(2,33)34/h2-10,12-13,16-17,21-22H,14-15H2,1H3;3-9,11-12,15,19-20H,13-14H2,1-2H3.
What are the key properties of 6-[1-[4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile;6-[1-[4-(3,4-dichlorophenyl)-1-(6-methylsulfonylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile?
6-[1-[4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile;6-[1-[4-(3,4-dichlorophenyl)-1-(6-methylsulfonylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile has a molecular weight of 1078.87 g/mol, XLogP of 9.55, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(3,4-dichlorophenyl)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile;6-[1-[4-(3,4-dichlorophenyl)-1-(6-methylsulfonylpyridine-3-carbonyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 87558525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).