1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol

C77H83Cl4N13O3 — CID 159399249

IUPAC1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol
SMILESClc1ccc(-n2cc(CN3CCNCC3)c3ccncc32)cc1.Clc1ccc(-n2cc(CN3CCOCC3)c3ccncc32)cc1.OCC1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.OCCC1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C21H24ClN3O.C20H22ClN3O.C18H19ClN4.C18H18ClN3O/c22-18-1-3-19(4-2-18)25-15-17(20-5-9-23-13-21(20)25)14-24-10-6-16(7-11-24)8-12-26;21-17-1-3-18(4-2-17)24-13-16(19-5-8-22-11-20(19)24)12-23-9-6-15(14-25)7-10-23;19-15-1-3-16(4-2-15)23-13-14(12-22-9-7-20-8-10-22)17-5-6-21-11-18(17)23;19-15-1-3-16(4-2-15)22-13-14(12-21-7-9-23-10-8-21)17-5-6-20-11-18(17)22/h1-5,9,13,15-16,26H,6-8,10-12,14H2;1-5,8,11,13,15,25H,6-7,9-10,12,14H2;1-6,11,13,20H,7-10,12H2;1-6,11,13H,7-10,12H2
InChIKeyLNDADCKRPLEYQV-UHFFFAOYSA-N
MW1380.41 g/mol
LogP14.75
Rot. Bonds15

About 1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol

1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol (PubChem CID 159399249) has the molecular formula C77H83Cl4N13O3 and a molecular weight of 1380.41 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol
PubChem CID159399249
Molecular FormulaC77H83Cl4N13O3
Molecular Weight1380.41 g/mol
Exact Mass1377.55
IUPAC Name1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol
SMILESClc1ccc(-n2cc(CN3CCNCC3)c3ccncc32)cc1.Clc1ccc(-n2cc(CN3CCOCC3)c3ccncc32)cc1.OCC1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.OCCC1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C21H24ClN3O.C20H22ClN3O.C18H19ClN4.C18H18ClN3O/c22-18-1-3-19(4-2-18)25-15-17(20-5-9-23-13-21(20)25)14-24-10-6-16(7-11-24)8-12-26;21-17-1-3-18(4-2-17)24-13-16(19-5-8-22-11-20(19)24)12-23-9-6-15(14-25)7-10-23;19-15-1-3-16(4-2-15)23-13-14(12-22-9-7-20-8-10-22)17-5-6-21-11-18(17)23;19-15-1-3-16(4-2-15)22-13-14(12-21-7-9-23-10-8-21)17-5-6-20-11-18(17)22/h1-5,9,13,15-16,26H,6-8,10-12,14H2;1-5,8,11,13,15,25H,6-7,9-10,12,14H2;1-6,11,13,20H,7-10,12H2;1-6,11,13H,7-10,12H2
InChIKeyLNDADCKRPLEYQV-UHFFFAOYSA-N
XLogP14.75
TPSA145.96 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001380.41
LogP ≤ 514.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol with MolForge

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Related Compounds

2-Amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]ethanone;tert-butyl 5-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-5-oxopentanoate;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-2-hydroxyethanone
CID 157217898
4-[[1-(4-Chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol
CID 157890395
Tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol
CID 158269683
4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]-N-methyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxamide;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-(4-cyclopropylpiperazin-1-yl)methanone;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-[(3S)-3-propan-2-ylpiperazin-1-yl]methanone;[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 158956557
2-[[1-(4-Chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methylamino]ethanol;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-ol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol;4-[1-(4-methylphenyl)pyrrolo[2,3-c]pyridin-3-yl]morpholine
CID 158972407
1-(4-Chlorophenyl)-3-(1-piperidin-4-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(1-pyrrolidin-3-ylpiperidin-4-yl)pyrrolo[2,3-c]pyridine
CID 159129355
Tert-butyl 4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperazine-1-carboxylate;1-(4-chlorophenyl)-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine;1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methanol;4-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butanenitrile;hydrochloride
CID 159131545
[(2S)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;[(2R)-1-[[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;(2S)-2-[[4-[4-[[bis[2-(pyridin-2-ylmethylamino)ethyl]amino]methyl]phenyl]phenyl]methylamino]-3-phenylpropan-1-ol;N'-[[4-[[2-(3-chlorophenyl)ethyl-ethylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[(6-chloro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine;N'-[[4-[[ethyl-[2-(7-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 159198202
Tert-butyl 4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylate;tert-butyl 4-[3-(4-chlorophenyl)pyrrolo[3,2-c]pyridin-1-yl]piperidine-1-carboxylate;3-(4-chlorophenyl)-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-ylmethyl)pyrrolo[3,2-c]pyridine;3-(4-chlorophenyl)-1-(oxolan-3-yl)pyrrolo[3,2-c]pyridine;1-(4-chlorophenyl)-3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[2,3-c]pyridine
CID 159260637
4-Amino-1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]butan-1-one;4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxylic acid;morpholine
CID 159797716
1-[4-[1-(4-Chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-3-(1,4-dimethylpiperazin-2-yl)propan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-(1-methylpiperidin-4-yl)butan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-morpholin-4-ylbutan-1-one;1-[4-[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidin-1-yl]-4-piperidin-1-ylbutan-1-one
CID 159829944
4-[1-(4-Chlorophenyl)imidazo[1,5-a]pyrazin-3-yl]morpholine;2-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methylamino]ethanol;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol;4-[1-(4-methylphenyl)imidazo[1,5-a]pyrazin-3-yl]morpholine
CID 159973660

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of 1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol (CID 159399249) is 1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for 1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol is Clc1ccc(-n2cc(CN3CCNCC3)c3ccncc32)cc1.Clc1ccc(-n2cc(CN3CCOCC3)c3ccncc32)cc1.OCC1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.OCCC1CCN(Cc2cn(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is LNDADCKRPLEYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O.C20H22ClN3O.C18H19ClN4.C18H18ClN3O/c22-18-1-3-19(4-2-18)25-15-17(20-5-9-23-13-21(20)25)14-24-10-6-16(7-11-24)8-12-26;21-17-1-3-18(4-2-17)24-13-16(19-5-8-22-11-20(19)24)12-23-9-6-15(14-25)7-10-23;19-15-1-3-16(4-2-15)23-13-14(12-22-9-7-20-8-10-22)17-5-6-21-11-18(17)23;19-15-1-3-16(4-2-15)22-13-14(12-21-7-9-23-10-8-21)17-5-6-20-11-18(17)22/h1-5,9,13,15-16,26H,6-8,10-12,14H2;1-5,8,11,13,15,25H,6-7,9-10,12,14H2;1-6,11,13,20H,7-10,12H2;1-6,11,13H,7-10,12H2.
What are the key properties of 1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol?
1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 1380.41 g/mol, XLogP of 14.75, 15 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(piperazin-1-ylmethyl)pyrrolo[2,3-c]pyridine;4-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]morpholine;2-[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]ethanol;[1-[[1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 159399249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).