4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide)

C127H106Cl6N18O24S9 — CID 158209490

IUPAC4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide)
SMILESC1=Cc2cnccc2C1.COC=Cc1cc2c(Cl)nccc2n1-c1ccccc1.CS(=O)(=O)OCCc1cc2c(Cl)nccc2n1-c1ccccc1.Clc1nccc2c1cc(CCN1CCOCC1)n2-c1ccccc1.Clc1nccc2c1ccn2-c1ccccc1.O=Cc1cc2c(Cl)nccc2n1-c1ccccc1.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.OCCc1cc2c(Cl)nccc2n1-c1ccccc1.[O-][n+]1ccc2c(ccn2-c2ccccc2)c1.c1ccc(-n2ccc3cnccc32)cc1
InChIInChI=1S/C19H20ClN3O.C16H15ClN2O3S.C16H13ClN2O.C15H13ClN2O.C14H9ClN2O.C13H9ClN2.C13H10N2O.C13H10N2.C8H7N.8O2S/c20-19-17-14-16(7-9-22-10-12-24-13-11-22)23(18(17)6-8-21-19)15-4-2-1-3-5-15;1-23(20,21)22-10-8-13-11-14-15(7-9-18-16(14)17)19(13)12-5-3-2-4-6-12;1-20-10-8-13-11-14-15(7-9-18-16(14)17)19(13)12-5-3-2-4-6-12;16-15-13-10-12(7-9-19)18(14(13)6-8-17-15)11-4-2-1-3-5-11;15-14-12-8-11(9-18)17(13(12)6-7-16-14)10-4-2-1-3-5-10;14-13-11-7-9-16(12(11)6-8-15-13)10-4-2-1-3-5-10;16-14-8-7-13-11(10-14)6-9-15(13)12-4-2-1-3-5-12;1-2-4-12(5-3-1)15-9-7-11-10-14-8-6-13(11)15;1-2-7-4-5-9-6-8(7)3-1;8*1-3-2/h1-6,8,14H,7,9-13H2;2-7,9,11H,8,10H2,1H3;2-11H,1H3;1-6,8,10,19H,7,9H2;1-9H;1-9H;1-10H;1-10H;1,3-6H,2H2;;;;;;;;
InChIKeyGBWYFVHWAPBPDI-UHFFFAOYSA-N
MW2769.67 g/mol
LogP23.01
Rot. Bonds20

About 4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide)

4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide) (PubChem CID 158209490) has the molecular formula C127H106Cl6N18O24S9 and a molecular weight of 2769.67 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide).

Molecular Properties

Compound Name4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide)
PubChem CID158209490
Molecular FormulaC127H106Cl6N18O24S9
Molecular Weight2769.67 g/mol
Exact Mass2764.32
IUPAC Name4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide)
SMILESC1=Cc2cnccc2C1.COC=Cc1cc2c(Cl)nccc2n1-c1ccccc1.CS(=O)(=O)OCCc1cc2c(Cl)nccc2n1-c1ccccc1.Clc1nccc2c1cc(CCN1CCOCC1)n2-c1ccccc1.Clc1nccc2c1ccn2-c1ccccc1.O=Cc1cc2c(Cl)nccc2n1-c1ccccc1.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.OCCc1cc2c(Cl)nccc2n1-c1ccccc1.[O-][n+]1ccc2c(ccn2-c2ccccc2)c1.c1ccc(-n2ccc3cnccc32)cc1
InChIInChI=1S/C19H20ClN3O.C16H15ClN2O3S.C16H13ClN2O.C15H13ClN2O.C14H9ClN2O.C13H9ClN2.C13H10N2O.C13H10N2.C8H7N.8O2S/c20-19-17-14-16(7-9-22-10-12-24-13-11-22)23(18(17)6-8-21-19)15-4-2-1-3-5-15;1-23(20,21)22-10-8-13-11-14-15(7-9-18-16(14)17)19(13)12-5-3-2-4-6-12;1-20-10-8-13-11-14-15(7-9-18-16(14)17)19(13)12-5-3-2-4-6-12;16-15-13-10-12(7-9-19)18(14(13)6-8-17-15)11-4-2-1-3-5-11;15-14-12-8-11(9-18)17(13(12)6-7-16-14)10-4-2-1-3-5-10;14-13-11-7-9-16(12(11)6-8-15-13)10-4-2-1-3-5-10;16-14-8-7-13-11(10-14)6-9-15(13)12-4-2-1-3-5-12;1-2-4-12(5-3-1)15-9-7-11-10-14-8-6-13(11)15;1-2-7-4-5-9-6-8(7)3-1;8*1-3-2/h1-6,8,14H,7,9-13H2;2-7,9,11H,8,10H2,1H3;2-11H,1H3;1-6,8,10,19H,7,9H2;1-9H;1-9H;1-10H;1-10H;1,3-6H,2H2;;;;;;;;
InChIKeyGBWYFVHWAPBPDI-UHFFFAOYSA-N
XLogP23.01
TPSA544.99 Ų
H-Bond Donors1
H-Bond Acceptors41
Rotatable Bonds20
Heavy Atoms184
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002769.67
LogP ≤ 523.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide)?
The IUPAC name of 4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide) (CID 158209490) is 4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide).
What is the SMILES notation for 4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide)?
The canonical SMILES for 4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide) is C1=Cc2cnccc2C1.COC=Cc1cc2c(Cl)nccc2n1-c1ccccc1.CS(=O)(=O)OCCc1cc2c(Cl)nccc2n1-c1ccccc1.Clc1nccc2c1cc(CCN1CCOCC1)n2-c1ccccc1.Clc1nccc2c1ccn2-c1ccccc1.O=Cc1cc2c(Cl)nccc2n1-c1ccccc1.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.O=S=O.OCCc1cc2c(Cl)nccc2n1-c1ccccc1.[O-][n+]1ccc2c(ccn2-c2ccccc2)c1.c1ccc(-n2ccc3cnccc32)cc1.
What is the InChIKey of 4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide)?
The InChIKey is GBWYFVHWAPBPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O.C16H15ClN2O3S.C16H13ClN2O.C15H13ClN2O.C14H9ClN2O.C13H9ClN2.C13H10N2O.C13H10N2.C8H7N.8O2S/c20-19-17-14-16(7-9-22-10-12-24-13-11-22)23(18(17)6-8-21-19)15-4-2-1-3-5-15;1-23(20,21)22-10-8-13-11-14-15(7-9-18-16(14)17)19(13)12-5-3-2-4-6-12;1-20-10-8-13-11-14-15(7-9-18-16(14)17)19(13)12-5-3-2-4-6-12;16-15-13-10-12(7-9-19)18(14(13)6-8-17-15)11-4-2-1-3-5-11;15-14-12-8-11(9-18)17(13(12)6-7-16-14)10-4-2-1-3-5-10;14-13-11-7-9-16(12(11)6-8-15-13)10-4-2-1-3-5-10;16-14-8-7-13-11(10-14)6-9-15(13)12-4-2-1-3-5-12;1-2-4-12(5-3-1)15-9-7-11-10-14-8-6-13(11)15;1-2-7-4-5-9-6-8(7)3-1;8*1-3-2/h1-6,8,14H,7,9-13H2;2-7,9,11H,8,10H2,1H3;2-11H,1H3;1-6,8,10,19H,7,9H2;1-9H;1-9H;1-10H;1-10H;1,3-6H,2H2;;;;;;;;.
What are the key properties of 4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide)?
4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide) has a molecular weight of 2769.67 g/mol, XLogP of 23.01, 20 rotatable bonds, 1 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyethenyl)-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine;4-chloro-1-phenylpyrrolo[3,2-c]pyridine-2-carbaldehyde;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethanol;2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl methanesulfonate;4-[2-(4-chloro-1-phenylpyrrolo[3,2-c]pyridin-2-yl)ethyl]morpholine;5H-cyclopenta[c]pyridine;5-oxido-1-phenylpyrrolo[3,2-c]pyridin-5-ium;1-phenylpyrrolo[3,2-c]pyridine;octakis(sulfur dioxide) is sourced from PubChem (CID 158209490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).