5-chloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)formamide;1,3-dichloro-7H-cyclopenta[c]pyridine;5,7-dichloro-1-methylpyrrolo[2,3-c]pyridine

C56H46Cl8N12O — CID 157172122

IUPAC5-chloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)formamide;1,3-dichloro-7H-cyclopenta[c]pyridine;5,7-dichloro-1-methylpyrrolo[2,3-c]pyridine
SMILESCc1cc(C)n(-c2cc3ccn(C)c3c(Nc3ccc(Cl)cc3)n2)n1.Clc1cc2c(c(Cl)n1)CC=C2.Cn1ccc2cc(Cl)nc(Cl)c21.Cn1ccc2cc(Cl)nc(Nc3ccc(Cl)cc3)c21.O=CNc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN5.C14H11Cl2N3.C8H6Cl2N2.C8H5Cl2N.C7H6ClNO/c1-12-10-13(2)25(23-12)17-11-14-8-9-24(3)18(14)19(22-17)21-16-6-4-15(20)5-7-16;1-19-7-6-9-8-12(16)18-14(13(9)19)17-11-4-2-10(15)3-5-11;1-12-3-2-5-4-6(9)11-8(10)7(5)12;9-7-4-5-2-1-3-6(5)8(10)11-7;8-6-1-3-7(4-2-6)9-5-10/h4-11H,1-3H3,(H,21,22);2-8H,1H3,(H,17,18);2-4H,1H3;1-2,4H,3H2;1-5H,(H,9,10)
InChIKeyANPAHIGAGJGPOR-UHFFFAOYSA-N
MW1186.69 g/mol
LogP17.14
Rot. Bonds7

About 5-chloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)formamide;1,3-dichloro-7H-cyclopenta[c]pyridine;5,7-dichloro-1-methylpyrrolo[2,3-c]pyridine

5-chloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)formamide;1,3-dichloro-7H-cyclopenta[c]pyridine;5,7-dichloro-1-methylpyrrolo[2,3-c]pyridine (PubChem CID 157172122) has the molecular formula C56H46Cl8N12O and a molecular weight of 1186.69 g/mol. Its IUPAC name is 5-chloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)formamide;1,3-dichloro-7H-cyclopenta[c]pyridine;5,7-dichloro-1-methylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-chloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)formamide;1,3-dichloro-7H-cyclopenta[c]pyridine;5,7-dichloro-1-methylpyrrolo[2,3-c]pyridine
PubChem CID157172122
Molecular FormulaC56H46Cl8N12O
Molecular Weight1186.69 g/mol
Exact Mass1182.14
IUPAC Name5-chloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)formamide;1,3-dichloro-7H-cyclopenta[c]pyridine;5,7-dichloro-1-methylpyrrolo[2,3-c]pyridine
SMILESCc1cc(C)n(-c2cc3ccn(C)c3c(Nc3ccc(Cl)cc3)n2)n1.Clc1cc2c(c(Cl)n1)CC=C2.Cn1ccc2cc(Cl)nc(Cl)c21.Cn1ccc2cc(Cl)nc(Nc3ccc(Cl)cc3)c21.O=CNc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN5.C14H11Cl2N3.C8H6Cl2N2.C8H5Cl2N.C7H6ClNO/c1-12-10-13(2)25(23-12)17-11-14-8-9-24(3)18(14)19(22-17)21-16-6-4-15(20)5-7-16;1-19-7-6-9-8-12(16)18-14(13(9)19)17-11-4-2-10(15)3-5-11;1-12-3-2-5-4-6(9)11-8(10)7(5)12;9-7-4-5-2-1-3-6(5)8(10)11-7;8-6-1-3-7(4-2-6)9-5-10/h4-11H,1-3H3,(H,21,22);2-8H,1H3,(H,17,18);2-4H,1H3;1-2,4H,3H2;1-5H,(H,9,10)
InChIKeyANPAHIGAGJGPOR-UHFFFAOYSA-N
XLogP17.14
TPSA137.33 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001186.69
LogP ≤ 517.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-chloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)formamide;1,3-dichloro-7H-cyclopenta[c]pyridine;5,7-dichloro-1-methylpyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

US9580415, Example 13
CID 86269070
1-[(3R)-1-ethylpyrrolidin-3-yl]-3-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]urea;1-[1-(2-methyl-4-pyridinyl)pyrazolo[3,4-c]pyridin-5-yl]-3-[(3R)-1-propylpyrrolidin-3-yl]urea
CID 121418097
1-[5-Chloro-4-[2-[2-[3-chloro-5-[(6-chloro-4-cyclopropylpyrrolo[1,2-b]pyridazin-3-yl)carbamoylamino]-2-pyridinyl]triazol-1-ium-1-yl]cyclopropyl]pyrrolo[1,2-b]pyridazin-3-yl]-3-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]urea
CID 156887204
6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157217468
(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,4-dideuterio-3-methyl-5-propan-2-ylimidazolidin-2-one;(4S,5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-methyl-5-propan-2-ylimidazolidin-2-one;(4R,5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-methyl-5-propan-2-ylimidazolidin-2-one;(5S)-1-[2-[[(1S)-1-[1-(4-methylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
CID 157435752
5-chloro-4-N-[3-ethyl-1-(6-methylpyridazin-3-yl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-4-N-[3-ethyl-1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4-N-methyl-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-2-N-(3-methylimidazo[1,2-a]pyridin-7-yl)-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-4-N-methyl-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-N-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrimidine-2,4-diamine
CID 157463326
4-chloro-3-iodo-1-methylpyrazolo[4,3-c]pyridine;4-chloro-1-methyl-3-(1-propan-2-ylimidazol-4-yl)pyrazolo[4,3-c]pyridine;N-(oxan-4-yl)-3-(1-propan-2-ylimidazol-4-yl)-1H-pyrrolo[3,4-c]pyridin-4-amine
CID 157571933
5-chloro-4-N-[3-ethyl-1-(5-methyl-2-pyridinyl)piperidin-4-yl]-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidine-2,4-diamine;5-chloro-2-N-imidazo[1,2-b]pyridazin-7-yl-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-2-N-imidazo[1,2-b]pyridazin-7-yl-4-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrimidine-2,4-diamine;5-chloro-4-N-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]-2-N-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidine-2,4-diamine
CID 157579737
(5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4,4-dideuterio-3-methyl-5-propan-2-ylimidazolidin-2-one;(4R,5S)-1-[2-[[(1S)-1-[1-(4-chlorophenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-4-methyl-5-propan-2-ylimidazolidin-2-one;(5S)-4,4-dideuterio-3-methyl-1-[2-[[(1S)-1-[1-(4-methylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one;(5S)-4,4-dideuterio-1-[2-[[(1S)-1-[1-(4-methylphenyl)imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-5-propan-2-ylimidazolidin-2-one
CID 157597286
3-chloro-N-(4-chlorophenyl)-5-(1,4-dimethylimidazol-2-yl)pyridin-2-amine;3-chloro-N-(4-chlorophenyl)-5-(1,5-dimethylimidazol-2-yl)pyridin-2-amine;3-chloro-N-(4-chlorophenyl)-5-(2,5-dimethylpyrazol-3-yl)pyridin-2-amine;3-chloro-N-(4-chlorophenyl)-5-(1-ethyl-4-methylimidazol-2-yl)pyridin-2-amine;3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine;3-chloro-N-(4-chlorophenyl)-5-(6,7,8,9,10,11-hexahydro-5H-[1,2,4]triazolo[4,3-a]azonin-3-yl)pyridin-2-amine
CID 157853379
1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 157874025
7-benzyl-N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)purin-6-amine;9-benzyl-N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)purin-6-amine
CID 157948027

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)formamide;1,3-dichloro-7H-cyclopenta[c]pyridine;5,7-dichloro-1-methylpyrrolo[2,3-c]pyridine?
The IUPAC name of 5-chloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)formamide;1,3-dichloro-7H-cyclopenta[c]pyridine;5,7-dichloro-1-methylpyrrolo[2,3-c]pyridine (CID 157172122) is 5-chloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)formamide;1,3-dichloro-7H-cyclopenta[c]pyridine;5,7-dichloro-1-methylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-chloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)formamide;1,3-dichloro-7H-cyclopenta[c]pyridine;5,7-dichloro-1-methylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-chloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)formamide;1,3-dichloro-7H-cyclopenta[c]pyridine;5,7-dichloro-1-methylpyrrolo[2,3-c]pyridine is Cc1cc(C)n(-c2cc3ccn(C)c3c(Nc3ccc(Cl)cc3)n2)n1.Clc1cc2c(c(Cl)n1)CC=C2.Cn1ccc2cc(Cl)nc(Cl)c21.Cn1ccc2cc(Cl)nc(Nc3ccc(Cl)cc3)c21.O=CNc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)formamide;1,3-dichloro-7H-cyclopenta[c]pyridine;5,7-dichloro-1-methylpyrrolo[2,3-c]pyridine?
The InChIKey is ANPAHIGAGJGPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5.C14H11Cl2N3.C8H6Cl2N2.C8H5Cl2N.C7H6ClNO/c1-12-10-13(2)25(23-12)17-11-14-8-9-24(3)18(14)19(22-17)21-16-6-4-15(20)5-7-16;1-19-7-6-9-8-12(16)18-14(13(9)19)17-11-4-2-10(15)3-5-11;1-12-3-2-5-4-6(9)11-8(10)7(5)12;9-7-4-5-2-1-3-6(5)8(10)11-7;8-6-1-3-7(4-2-6)9-5-10/h4-11H,1-3H3,(H,21,22);2-8H,1H3,(H,17,18);2-4H,1H3;1-2,4H,3H2;1-5H,(H,9,10).
What are the key properties of 5-chloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)formamide;1,3-dichloro-7H-cyclopenta[c]pyridine;5,7-dichloro-1-methylpyrrolo[2,3-c]pyridine?
5-chloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)formamide;1,3-dichloro-7H-cyclopenta[c]pyridine;5,7-dichloro-1-methylpyrrolo[2,3-c]pyridine has a molecular weight of 1186.69 g/mol, XLogP of 17.14, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-chlorophenyl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)-5-(3,5-dimethylpyrazol-1-yl)-1-methylpyrrolo[2,3-c]pyridin-7-amine;N-(4-chlorophenyl)formamide;1,3-dichloro-7H-cyclopenta[c]pyridine;5,7-dichloro-1-methylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 157172122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).