4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate

C51H50Cl6N10O6 — CID 158472513

IUPAC4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)C1=Cc2c(ccnc2Cl)C1.COC(=O)c1cc2c(Cl)nccc2n1C.Cn1c(CCl)cc2c(Cl)nccc21.Cn1c(CN2CCOCC2)cc2c(Cl)nccc21.Cn1c(CO)cc2c(Cl)nccc21
InChIInChI=1S/C13H16ClN3O.C10H9ClN2O2.C10H8ClNO2.C9H8Cl2N2.C9H9ClN2O/c1-16-10(9-17-4-6-18-7-5-17)8-11-12(16)2-3-15-13(11)14;1-13-7-3-4-12-9(11)6(7)5-8(13)10(14)15-2;1-14-10(13)7-4-6-2-3-12-9(11)8(6)5-7;1-13-6(5-10)4-7-8(13)2-3-12-9(7)11;1-12-6(5-13)4-7-8(12)2-3-11-9(7)10/h2-3,8H,4-7,9H2,1H3;3-5H,1-2H3;2-3,5H,4H2,1H3;2-4H,5H2,1H3;2-4,13H,5H2,1H3
InChIKeyHGNHFBXSSQHZLA-UHFFFAOYSA-N
MW1111.74 g/mol
LogP10.60
Rot. Bonds6

About 4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate

4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate (PubChem CID 158472513) has the molecular formula C51H50Cl6N10O6 and a molecular weight of 1111.74 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
PubChem CID158472513
Molecular FormulaC51H50Cl6N10O6
Molecular Weight1111.74 g/mol
Exact Mass1108.20
IUPAC Name4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
SMILESCOC(=O)C1=Cc2c(ccnc2Cl)C1.COC(=O)c1cc2c(Cl)nccc2n1C.Cn1c(CCl)cc2c(Cl)nccc21.Cn1c(CN2CCOCC2)cc2c(Cl)nccc21.Cn1c(CO)cc2c(Cl)nccc21
InChIInChI=1S/C13H16ClN3O.C10H9ClN2O2.C10H8ClNO2.C9H8Cl2N2.C9H9ClN2O/c1-16-10(9-17-4-6-18-7-5-17)8-11-12(16)2-3-15-13(11)14;1-13-7-3-4-12-9(11)6(7)5-8(13)10(14)15-2;1-14-10(13)7-4-6-2-3-12-9(11)8(6)5-7;1-13-6(5-10)4-7-8(13)2-3-12-9(7)11;1-12-6(5-13)4-7-8(12)2-3-11-9(7)10/h2-3,8H,4-7,9H2,1H3;3-5H,1-2H3;2-3,5H,4H2,1H3;2-4H,5H2,1H3;2-4,13H,5H2,1H3
InChIKeyHGNHFBXSSQHZLA-UHFFFAOYSA-N
XLogP10.60
TPSA169.47 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001111.74
LogP ≤ 510.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Ethyl 3-chloropyrido[1,2-b]isoindole-6-carboxylate
CID 139049054
(6-Chloro-1-ethylpyrrolo[3,2-c]pyridin-2-yl)methanol;methyl 6-chloro-1-ethylpyrrolo[3,2-c]pyridine-2-carboxylate
CID 157680090
dichloromethane;N,N-diethylethanamine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);ethane;5-(hydroxymethyl)pyridine-2-carboxylic acid;bis(iridium);2-methylprop-2-enoyl chloride;5-(2-methylprop-2-enoyloxymethyl)pyridine-2-carboxylic acid
CID 157798172
2-chloro-N-methyl-1,6-naphthyridin-4-amine;2,4-dichloro-1,6-naphthyridine;ethyl 1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylate;ethyl 1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-2-carboxylate;methanamine;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methyl-5-[4-(methylamino)-1,6-naphthyridin-2-yl]indole-2-carboxylic acid
CID 158277935
ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[(1-methylpiperidin-4-yl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methylpiperidin-4-amine
CID 158676673
9-[(2,5-Dichlorophenyl)methyl]-3-ethylpyrido[3,4-b]indole;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 159200167
tert-butyl 3-chloro-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine-6-carboxylate;tert-butyl 5H-cyclopenta[c]pyridine-3-carboxylate;tert-butyl 1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine-6-carboxylate;3-chloro-1-(3-methoxypropyl)pyrrolo[3,2-c]pyridine-6-carboxylic acid;hydrochloride
CID 159987035
dichloromethane;N,N-diethylethanamine;tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);5-(hydroxymethyl)pyridine-2-carboxylic acid;bis(iridium);methane;2-methylprop-2-enoyl chloride;5-(2-methylprop-2-enoyloxymethyl)pyridine-2-carboxylic acid
CID 160470889
Methyl 6-[(2-tert-butyl-6-chloropyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-cyclohexylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-cyclopentylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate;methyl 6-[(6-chloro-2-cyclopropylpyrazolo[1,5-a]pyridin-3-yl)-hydroxymethyl]pyridine-2-carboxylate;methyl 6-[[6-chloro-2-(2-methylpropyl)pyrazolo[1,5-a]pyridin-3-yl]-hydroxymethyl]pyridine-2-carboxylate
CID 160522488
1-[9-[(2,5-Dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]ethanone;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methanol;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
CID 160627199
ethyl 5-(4-chloro-1,6-naphthyridin-2-yl)-1-methylindole-2-carboxylate;ethyl 1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylate;1-methyl-N-(1-methylpiperidin-4-yl)-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxamide;1-methyl-5-[4-[methyl(3-piperidin-1-ylpropyl)amino]-1,6-naphthyridin-2-yl]indole-2-carboxylic acid;1-methylpiperidin-4-amine;N-methyl-3-piperidin-1-ylpropan-1-amine
CID 160661612
4-chloropyridine-2-carboxylic acid;propan-2-yl 4-(1H-pyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylate;4-(1-propan-2-ylpyrrolo[3,2-b]pyridin-6-yl)pyridine-2-carboxylic acid;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 160742464

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate?
The IUPAC name of 4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate (CID 158472513) is 4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate?
The canonical SMILES for 4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate is COC(=O)C1=Cc2c(ccnc2Cl)C1.COC(=O)c1cc2c(Cl)nccc2n1C.Cn1c(CCl)cc2c(Cl)nccc21.Cn1c(CN2CCOCC2)cc2c(Cl)nccc21.Cn1c(CO)cc2c(Cl)nccc21.
What is the InChIKey of 4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate?
The InChIKey is HGNHFBXSSQHZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O.C10H9ClN2O2.C10H8ClNO2.C9H8Cl2N2.C9H9ClN2O/c1-16-10(9-17-4-6-18-7-5-17)8-11-12(16)2-3-15-13(11)14;1-13-7-3-4-12-9(11)6(7)5-8(13)10(14)15-2;1-14-10(13)7-4-6-2-3-12-9(11)8(6)5-7;1-13-6(5-10)4-7-8(13)2-3-12-9(7)11;1-12-6(5-13)4-7-8(12)2-3-11-9(7)10/h2-3,8H,4-7,9H2,1H3;3-5H,1-2H3;2-3,5H,4H2,1H3;2-4H,5H2,1H3;2-4,13H,5H2,1H3.
What are the key properties of 4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate?
4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate has a molecular weight of 1111.74 g/mol, XLogP of 10.60, 6 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-1-methylpyrrolo[3,2-c]pyridine;(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methanol;4-[(4-chloro-1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]morpholine;methyl 1-chloro-5H-cyclopenta[c]pyridine-6-carboxylate;methyl 4-chloro-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate is sourced from PubChem (CID 158472513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).