4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-isocyano-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-methyl-9-propan-2-ylpurine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide

C137H177ClN48O7 — CID 160579347

About 4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-isocyano-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-methyl-9-propan-2-ylpurine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide

4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-isocyano-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-methyl-9-propan-2-ylpurine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide (PubChem CID 160579347) has the molecular formula C137H177ClN48O7 and a molecular weight of 2643.70 g/mol. Its IUPAC name is 4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-isocyano-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-methyl-9-propan-2-ylpurine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-isocyano-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-methyl-9-propan-2-ylpurine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide
• PubChem CID: 160579347
• Molecular Formula: C137H177ClN48O7
• Molecular Weight: 2643.70 g/mol
• Exact Mass: 2641.47
• IUPAC Name: 4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-isocyano-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-methyl-9-propan-2-ylpurine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide
• SMILES: CC(C)C1=NCC2=C1N=CCC2=O.CC(C)n1ccc2c(Cl)ccnc21.CC(C)n1cnc2c(=O)cc[nH]c21.CC(C)n1cnc2c(C(N)=O)ncnc21.CC(C)n1cnc2cccnc21.CC(C)n1nnc2c(N)cccc21.CCc1ccnc2c1ncn2C(C)C.CNc1ccnc2c1ncn2C(C)C.COCCC1CC=Nc2c1ncn2C(C)C.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ccn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1.Cc1ncc2ncn(C(C)C)c2n1.[C-]#[N+]c1cn(C(C)C)c2nccc(N)c12
• InChI: InChI=1S/C12H19N3O.C11H12N4.C11H15N3.C10H11ClN2.C10H14N4.2C10H13N3O.C10H12N2O.C9H11N5O.2C9H12N4.C9H11N3O.C9H11N3.C8H11N5O/c1-9(2)15-8-14-11-10(5-7-16-3)4-6-13-12(11)15;1-7(2)15-6-9(13-3)10-8(12)4-5-14-11(10)15;1-4-9-5-6-12-11-10(9)13-7-14(11)8(2)3;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-7(2)14-6-13-9-8(11-3)4-5-12-10(9)14;1-6(2)13-5-11-9-8(13)4-7(3)12-10(9)14;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-6(2)9-10-7(5-12-9)8(13)3-4-11-10;1-5(2)14-4-13-7-6(8(10)15)11-3-12-9(7)14;1-6(2)13-5-11-8-4-10-7(3)12-9(8)13;1-6(2)13-8-5-3-4-7(10)9(8)11-12-13;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-7(2)12-6-11-8-4-3-5-10-9(8)12;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7/h6,8-10H,4-5,7H2,1-3H3;4-7H,1-2H3,(H2,12,14);5-8H,4H2,1-3H3;3-7H,1-2H3;4-7H,1-3H3,(H,11,12);4-6H,1-3H3,(H,12,14);4-6H,1-3H3,(H,11,12,14);4,6H,3,5H2,1-2H3;3-5H,1-2H3,(H2,10,15);4-6H,1-3H3;3-6H,10H2,1-2H3;3-6H,1-2H3,(H,10,13);3-7H,1-2H3;4H,1-3H3,(H,9,10,14)
• InChIKey: RBOKZENRYDEQAZ-UHFFFAOYSA-N
• XLogP: 25.50
• TPSA: 666.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 49
• Rotatable Bonds: 20
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2643.70
LogP ≤ 5	25.50
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-isocyano-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-methyl-9-propan-2-ylpurine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide?

The IUPAC name of 4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-isocyano-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-methyl-9-propan-2-ylpurine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide (CID 160579347) is 4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-isocyano-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-methyl-9-propan-2-ylpurine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide.

What is the SMILES notation for 4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-isocyano-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-methyl-9-propan-2-ylpurine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide?

The canonical SMILES for 4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-isocyano-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-methyl-9-propan-2-ylpurine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide is CC(C)C1=NCC2=C1N=CCC2=O.CC(C)n1ccc2c(Cl)ccnc21.CC(C)n1cnc2c(=O)cc[nH]c21.CC(C)n1cnc2c(C(N)=O)ncnc21.CC(C)n1cnc2cccnc21.CC(C)n1nnc2c(N)cccc21.CCc1ccnc2c1ncn2C(C)C.CNc1ccnc2c1ncn2C(C)C.COCCC1CC=Nc2c1ncn2C(C)C.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ccn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1.Cc1ncc2ncn(C(C)C)c2n1.[C-]#[N+]c1cn(C(C)C)c2nccc(N)c12.

What is the InChIKey of 4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-isocyano-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-methyl-9-propan-2-ylpurine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide?

The InChIKey is RBOKZENRYDEQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.C11H12N4.C11H15N3.C10H11ClN2.C10H14N4.2C10H13N3O.C10H12N2O.C9H11N5O.2C9H12N4.C9H11N3O.C9H11N3.C8H11N5O/c1-9(2)15-8-14-11-10(5-7-16-3)4-6-13-12(11)15;1-7(2)15-6-9(13-3)10-8(12)4-5-14-11(10)15;1-4-9-5-6-12-11-10(9)13-7-14(11)8(2)3;1-7(2)13-6-4-8-9(11)3-5-12-10(8)13;1-7(2)14-6-13-9-8(11-3)4-5-12-10(9)14;1-6(2)13-5-11-9-8(13)4-7(3)12-10(9)14;1-6(2)13-5-4-8-9(13)11-7(3)12-10(8)14;1-6(2)9-10-7(5-12-9)8(13)3-4-11-10;1-5(2)14-4-13-7-6(8(10)15)11-3-12-9(7)14;1-6(2)13-5-11-8-4-10-7(3)12-9(8)13;1-6(2)13-8-5-3-4-7(10)9(8)11-12-13;1-6(2)12-5-11-8-7(13)3-4-10-9(8)12;1-7(2)12-6-11-8-4-3-5-10-9(8)12;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7/h6,8-10H,4-5,7H2,1-3H3;4-7H,1-2H3,(H2,12,14);5-8H,4H2,1-3H3;3-7H,1-2H3;4-7H,1-3H3,(H,11,12);4-6H,1-3H3,(H,12,14);4-6H,1-3H3,(H,11,12,14);4,6H,3,5H2,1-2H3;3-5H,1-2H3,(H2,10,15);4-6H,1-3H3;3-6H,10H2,1-2H3;3-6H,1-2H3,(H,10,13);3-7H,1-2H3;4H,1-3H3,(H,9,10,14).

What are the key properties of 4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-isocyano-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-methyl-9-propan-2-ylpurine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide?

4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-isocyano-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-methyl-9-propan-2-ylpurine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide has a molecular weight of 2643.70 g/mol, XLogP of 25.50, 20 rotatable bonds, 8 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridine;7-ethyl-3-propan-2-ylimidazo[4,5-b]pyridine;3-isocyano-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine;7-(2-methoxyethyl)-3-propan-2-yl-6,7-dihydroimidazo[4,5-b]pyridine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;2-methyl-9-propan-2-ylpurine;2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;1-propan-2-ylbenzotriazol-4-amine;7-propan-2-yl-3,5-dihydropyrrolo[3,4-b]pyridin-4-one;3-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;9-propan-2-ylpurine-6-carboxamide is sourced from PubChem (CID 160579347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).