4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C77H94N12O10S — CID 163642055

IUPAC4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOc1cc(N2CCC(c3ccc(OCCN4[C@H](C)CN(C(C)=O)C[C@@H]4C)cc3)CC2)ncc1-c1cn(C)c(=O)c2[nH]ccc12.COc1cc(N2CCC(c3ccc(OCCN4[C@H](C)CN(C(C)=O)C[C@@H]4C)cc3)CC2)ncc1-c1cn(C)c(=O)c2c1ccn2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C42H50N6O6S.C35H44N6O4/c1-28-7-13-35(14-8-28)55(51,52)48-20-17-36-38(27-44(5)42(50)41(36)48)37-24-43-40(23-39(37)53-6)45-18-15-33(16-19-45)32-9-11-34(12-10-32)54-22-21-47-29(2)25-46(31(4)49)26-30(47)3;1-23-20-40(25(3)42)21-24(2)41(23)16-17-45-28-8-6-26(7-9-28)27-11-14-39(15-12-27)33-18-32(44-5)30(19-37-33)31-22-38(4)35(43)34-29(31)10-13-36-34/h7-14,17,20,23-24,27,29-30,33H,15-16,18-19,21-22,25-26H2,1-6H3;6-10,13,18-19,22-24,27,36H,11-12,14-17,20-21H2,1-5H3/t29-,30+;23-,24+
InChIKeyIFBODNSZJXNFPZ-KLLIIFEOSA-N
MW1379.74 g/mol
LogP10.30
Rot. Bonds18

About 4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 163642055) has the molecular formula C77H94N12O10S and a molecular weight of 1379.74 g/mol. Its IUPAC name is 4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID163642055
Molecular FormulaC77H94N12O10S
Molecular Weight1379.74 g/mol
Exact Mass1378.69
IUPAC Name4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCOc1cc(N2CCC(c3ccc(OCCN4[C@H](C)CN(C(C)=O)C[C@@H]4C)cc3)CC2)ncc1-c1cn(C)c(=O)c2[nH]ccc12.COc1cc(N2CCC(c3ccc(OCCN4[C@H](C)CN(C(C)=O)C[C@@H]4C)cc3)CC2)ncc1-c1cn(C)c(=O)c2c1ccn2S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C42H50N6O6S.C35H44N6O4/c1-28-7-13-35(14-8-28)55(51,52)48-20-17-36-38(27-44(5)42(50)41(36)48)37-24-43-40(23-39(37)53-6)45-18-15-33(16-19-45)32-9-11-34(12-10-32)54-22-21-47-29(2)25-46(31(4)49)26-30(47)3;1-23-20-40(25(3)42)21-24(2)41(23)16-17-45-28-8-6-26(7-9-28)27-11-14-39(15-12-27)33-18-32(44-5)30(19-37-33)31-22-38(4)35(43)34-29(31)10-13-36-34/h7-14,17,20,23-24,27,29-30,33H,15-16,18-19,21-22,25-26H2,1-6H3;6-10,13,18-19,22-24,27,36H,11-12,14-17,20-21H2,1-5H3/t29-,30+;23-,24+
InChIKeyIFBODNSZJXNFPZ-KLLIIFEOSA-N
XLogP10.30
TPSA215.14 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001379.74
LogP ≤ 510.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze 4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Launch Full Analysis

Related Compounds

5-[3-[3-[6-acetamido-3-[3-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,5-dihydropyridin-4-yl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-2-pyridin-4-yloxy-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide
CID 123195089
5-[3-[3-[6-acetamido-3-[3-[5-(benzenesulfonamido)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-pyridinyl]-6-morpholin-4-yl-2-pyridinyl]-2-pyridinyl]-6-(dimethylamino)-2-pyridinyl]-6-methoxy-2-pyridinyl]-N-methyl-6-[2-(6-methyl-3-pyridinyl)-6-(methylsulfamoyl)-3-pyridinyl]pyridine-2-carboxamide
CID 123914348
4-[6-[4-[4-[2-[(2S,6R)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 146717359
6-methyl-4-[6-[4-[4-[2-(4-methyl-3-oxopiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 146960141
4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 148859727
6-methyl-4-[6-[4-[4-(2-piperidin-1-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 153620325
4-[6-[4-[4-[2-[(2S,6R)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 153620331
4-[6-[4-[4-[2-[(2S)-4-acetyl-2-methyl-6-methylidenepiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 153620346
6-methyl-4-[6-[4-[4-(2-morpholin-4-ylethoxy)phenyl]piperidin-1-yl]-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 153620371
[4-[6-[4-[4-[2-(4-Acetyl-2,6-dimethylpiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-7-oxopyrrolo[2,3-c]pyridin-1-yl] thiohypoiodite
CID 153620382
4-[2-[4-[3-[[4-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]phenyl]-7-oxo-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]pyrimidin-5-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 153620440
4-[6-[4-[4-[2-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 153620462

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 163642055) is 4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is COc1cc(N2CCC(c3ccc(OCCN4[C@H](C)CN(C(C)=O)C[C@@H]4C)cc3)CC2)ncc1-c1cn(C)c(=O)c2[nH]ccc12.COc1cc(N2CCC(c3ccc(OCCN4[C@H](C)CN(C(C)=O)C[C@@H]4C)cc3)CC2)ncc1-c1cn(C)c(=O)c2c1ccn2S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is IFBODNSZJXNFPZ-KLLIIFEOSA-N. The full InChI is InChI=1S/C42H50N6O6S.C35H44N6O4/c1-28-7-13-35(14-8-28)55(51,52)48-20-17-36-38(27-44(5)42(50)41(36)48)37-24-43-40(23-39(37)53-6)45-18-15-33(16-19-45)32-9-11-34(12-10-32)54-22-21-47-29(2)25-46(31(4)49)26-30(47)3;1-23-20-40(25(3)42)21-24(2)41(23)16-17-45-28-8-6-26(7-9-28)27-11-14-39(15-12-27)33-18-32(44-5)30(19-37-33)31-22-38(4)35(43)34-29(31)10-13-36-34/h7-14,17,20,23-24,27,29-30,33H,15-16,18-19,21-22,25-26H2,1-6H3;6-10,13,18-19,22-24,27,36H,11-12,14-17,20-21H2,1-5H3/t29-,30+;23-,24+.
What are the key properties of 4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 1379.74 g/mol, XLogP of 10.30, 18 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-7-one;4-[6-[4-[4-[2-[(2R,6S)-4-acetyl-2,6-dimethylpiperazin-1-yl]ethoxy]phenyl]piperidin-1-yl]-4-methoxy-3-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 163642055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).