6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);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;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one

C129H177Cl2F3N56O9 — CID 159922589

About 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);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;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one

6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);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;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one (PubChem CID 159922589) has the molecular formula C129H177Cl2F3N56O9 and a molecular weight of 2784.12 g/mol. Its IUPAC name is 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);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;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one.

Molecular Properties

• Compound Name: 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);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;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one
• PubChem CID: 159922589
• Molecular Formula: C129H177Cl2F3N56O9
• Molecular Weight: 2784.12 g/mol
• Exact Mass: 2781.44
• IUPAC Name: 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);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;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one
• SMILES: C.C.C.C.CC(C)n1c(F)nc2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]ncc21.CC(C)n1cnc2c(Cl)ncnc21.CC(C)n1nnc2c(Cl)ccnc21.Cc1cc(=O)c2ncn(C(C)C)c2[nH]1.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(c(F)cn2C(C)C)c(=O)[nH]1.Cc1nc2c(ccn2C(C)C)c(=O)[nH]1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1
• InChI: InChI=1S/C10H12FN3O.3C10H13N3O.C9H11FN4O.2C9H13N5.2C9H12N4O.2C8H9ClN4.C8H10FN5.C8H11N5O.C8H10N4O.4CH4/c1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(8)15;1-6(2)13-5-11-9-8(14)4-7(3)12-10(9)13;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;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;2*1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)12-4-9-7-6(12)3-10-11-8(7)13;;;;/h4-5H,1-3H3,(H,12,13,15);2*4-6H,1-3H3,(H,12,14);4-6H,1-3H3,(H,11,12,14);4H,1-3H3,(H,11,12,15);2*4-5H,1-3H3,(H2,10,12,13);2*4-5H,1-3H3,(H,11,12,14);2*3-5H,1-2H3;3-4H,1-2H3,(H2,10,11,12);4H,1-3H3,(H,9,10,14);3-5H,1-2H3,(H,11,13);4*1H4
• InChIKey: NYPDIAJMXXASLC-UHFFFAOYSA-N
• XLogP: 21.25
• TPSA: 829.52 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 56
• Rotatable Bonds: 14
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2784.12
LogP ≤ 5	21.25
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);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;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one?

The IUPAC name of 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);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;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one (CID 159922589) is 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);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;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one.

What is the SMILES notation for 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);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;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one?

The canonical SMILES for 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);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;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one is C.C.C.C.CC(C)n1c(F)nc2c(N)ncnc21.CC(C)n1cnc2c(=O)[nH]ncc21.CC(C)n1cnc2c(Cl)ncnc21.CC(C)n1nnc2c(Cl)ccnc21.Cc1cc(=O)c2ncn(C(C)C)c2[nH]1.Cc1cc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc(N)c2ncn(C(C)C)c2n1.Cc1nc2c(c(F)cn2C(C)C)c(=O)[nH]1.Cc1nc2c(ccn2C(C)C)c(=O)[nH]1.Cc1nc2c(nc(F)n2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(ncn2C(C)C)c(=O)[nH]1.Cc1nc2c(nnn2C(C)C)c(=O)[nH]1.

What is the InChIKey of 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);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;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one?

The InChIKey is NYPDIAJMXXASLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O.3C10H13N3O.C9H11FN4O.2C9H13N5.2C9H12N4O.2C8H9ClN4.C8H10FN5.C8H11N5O.C8H10N4O.4CH4/c1-5(2)14-4-7(11)8-9(14)12-6(3)13-10(8)15;1-6(2)13-5-11-9-8(14)4-7(3)12-10(9)13;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;1-4(2)14-7-6(13-9(14)10)8(15)12-5(3)11-7;2*1-5(2)14-4-11-7-8(10)12-6(3)13-9(7)14;2*1-5(2)13-4-10-7-8(13)11-6(3)12-9(7)14;1-5(2)13-4-12-6-7(9)10-3-11-8(6)13;1-5(2)13-8-7(11-12-13)6(9)3-4-10-8;1-4(2)14-7-5(13-8(14)9)6(10)11-3-12-7;1-4(2)13-7-6(11-12-13)8(14)10-5(3)9-7;1-5(2)12-4-9-7-6(12)3-10-11-8(7)13;;;;/h4-5H,1-3H3,(H,12,13,15);2*4-6H,1-3H3,(H,12,14);4-6H,1-3H3,(H,11,12,14);4H,1-3H3,(H,11,12,15);2*4-5H,1-3H3,(H2,10,12,13);2*4-5H,1-3H3,(H,11,12,14);2*3-5H,1-2H3;3-4H,1-2H3,(H2,10,11,12);4H,1-3H3,(H,9,10,14);3-5H,1-2H3,(H,11,13);4*1H4.

What are the key properties of 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);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;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one?

6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);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;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one has a molecular weight of 2784.12 g/mol, XLogP of 21.25, 14 rotatable bonds, 12 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-9-propan-2-ylpurine;7-chloro-3-propan-2-yltriazolo[4,5-b]pyridine;8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;methane;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;6-methyl-1-propan-2-yl-5H-imidazo[4,5-c]pyridin-4-one;bis(2-methyl-9-propan-2-ylpurin-6-amine);bis(2-methyl-9-propan-2-yl-1H-purin-6-one);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;3-propan-2-yl-6H-imidazo[4,5-d]pyridazin-7-one is sourced from PubChem (CID 159922589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).