3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;2-methylisoindole-1,3-dione;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-c]pyridine

C55H53N15O2 — CID 157478729

IUPAC3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;2-methylisoindole-1,3-dione;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-c]pyridine
SMILESCN1C(=O)c2ccccc2C1=O.Cn1ccc2ccccc21.Cn1ccc2ccncc21.Cn1cnc2cccnc21.Cn1cnc2ccncc21.Cn1ncc2ccccc21.Cn1ncc2ccncc21
InChIInChI=1S/C9H7NO2.C9H9N.2C8H8N2.3C7H7N3/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;1-10-7-6-8-4-2-3-5-9(8)10;1-10-5-3-7-2-4-9-6-8(7)10;1-10-8-5-3-2-4-7(8)6-9-10;1-10-5-9-6-2-3-8-4-7(6)10;1-10-7-5-8-3-2-6(7)4-9-10;1-10-5-9-6-3-2-4-8-7(6)10/h2-5H,1H3;2-7H,1H3;2*2-6H,1H3;3*2-5H,1H3
InChIKeyBVXFSNCNCZVUSJ-UHFFFAOYSA-N
MW956.13 g/mol
LogP9.14
Rot. Bonds

About 3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;2-methylisoindole-1,3-dione;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-c]pyridine

3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;2-methylisoindole-1,3-dione;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-c]pyridine (PubChem CID 157478729) has the molecular formula C55H53N15O2 and a molecular weight of 956.13 g/mol. Its IUPAC name is 3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;2-methylisoindole-1,3-dione;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;2-methylisoindole-1,3-dione;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-c]pyridine
PubChem CID157478729
Molecular FormulaC55H53N15O2
Molecular Weight956.13 g/mol
Exact Mass955.45
IUPAC Name3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;2-methylisoindole-1,3-dione;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-c]pyridine
SMILESCN1C(=O)c2ccccc2C1=O.Cn1ccc2ccccc21.Cn1ccc2ccncc21.Cn1cnc2cccnc21.Cn1cnc2ccncc21.Cn1ncc2ccccc21.Cn1ncc2ccncc21
InChIInChI=1S/C9H7NO2.C9H9N.2C8H8N2.3C7H7N3/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;1-10-7-6-8-4-2-3-5-9(8)10;1-10-5-3-7-2-4-9-6-8(7)10;1-10-8-5-3-2-4-7(8)6-9-10;1-10-5-9-6-2-3-8-4-7(6)10;1-10-7-5-8-3-2-6(7)4-9-10;1-10-5-9-6-3-2-4-8-7(6)10/h2-5H,1H3;2-7H,1H3;2*2-6H,1H3;3*2-5H,1H3
InChIKeyBVXFSNCNCZVUSJ-UHFFFAOYSA-N
XLogP9.14
TPSA170.08 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500956.13
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;2-methylisoindole-1,3-dione;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-c]pyridine with MolForge

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Related Compounds

TRK degrader CG416
CID 146410659
3-[1-(3-Imidazol-1-ylpropyl)indol-3-yl]-1-methyl-4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)pyrrole-2,5-dione
CID 141451185
3-(1-Methylindol-3-yl)-1-naphthalen-1-yl-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
CID 45270890
4-[[6-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-6-oxohexyl]amino]-2-(1-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 162662408
(4-Methylpiperazin-1-yl)-[4-[2-[3-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]piperidin-1-yl]pyrimidin-5-yl]phenyl]methanone
CID 118364764
3-(1-Methylindol-3-yl)-1-phenyl-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]pyrrole-2,5-dione
CID 44241582
3-[1-(3-Imidazol-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione
CID 45269165
3-[1-(4-Imidazol-1-ylbutyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione
CID 45269166
3-[1-(2-Imidazol-1-ylethyl)pyrazolo[5,4-b]pyridin-3-yl]-4-(1-methylindol-3-yl)-1-phenylpyrrole-2,5-dione
CID 45271702
3-(1-Methylindol-3-yl)-4-[1-(3-piperidin-1-ylpropyl)pyrazolo[5,4-b]pyridin-3-yl]-1-pyridin-2-ylpyrrole-2,5-dione
CID 45273497
N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53231258
N-[5-(1-methylindole-3-carbonyl)-2-phenyltriazol-4-yl]-7-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53231261

Frequently Asked Questions

What is the IUPAC name of 3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;2-methylisoindole-1,3-dione;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-c]pyridine?
The IUPAC name of 3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;2-methylisoindole-1,3-dione;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-c]pyridine (CID 157478729) is 3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;2-methylisoindole-1,3-dione;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;2-methylisoindole-1,3-dione;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;2-methylisoindole-1,3-dione;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-c]pyridine is CN1C(=O)c2ccccc2C1=O.Cn1ccc2ccccc21.Cn1ccc2ccncc21.Cn1cnc2cccnc21.Cn1cnc2ccncc21.Cn1ncc2ccccc21.Cn1ncc2ccncc21.
What is the InChIKey of 3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;2-methylisoindole-1,3-dione;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-c]pyridine?
The InChIKey is BVXFSNCNCZVUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2.C9H9N.2C8H8N2.3C7H7N3/c1-10-8(11)6-4-2-3-5-7(6)9(10)12;1-10-7-6-8-4-2-3-5-9(8)10;1-10-5-3-7-2-4-9-6-8(7)10;1-10-8-5-3-2-4-7(8)6-9-10;1-10-5-9-6-2-3-8-4-7(6)10;1-10-7-5-8-3-2-6(7)4-9-10;1-10-5-9-6-3-2-4-8-7(6)10/h2-5H,1H3;2-7H,1H3;2*2-6H,1H3;3*2-5H,1H3.
What are the key properties of 3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;2-methylisoindole-1,3-dione;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-c]pyridine?
3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;2-methylisoindole-1,3-dione;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-c]pyridine has a molecular weight of 956.13 g/mol, XLogP of 9.14, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimidazo[4,5-b]pyridine;3-methylimidazo[4,5-c]pyridine;1-methylindazole;1-methylindole;2-methylisoindole-1,3-dione;1-methylpyrazolo[5,4-c]pyridine;1-methylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 157478729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).