1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;methane;1-methyl-7-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C42H60N12O4 — CID 158122543

About 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;methane;1-methyl-7-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;methane;1-methyl-7-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 158122543) has the molecular formula C42H60N12O4 and a molecular weight of 797.02 g/mol. Its IUPAC name is 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;methane;1-methyl-7-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;methane;1-methyl-7-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
• PubChem CID: 158122543
• Molecular Formula: C42H60N12O4
• Molecular Weight: 797.02 g/mol
• Exact Mass: 796.49
• IUPAC Name: 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;methane;1-methyl-7-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
• SMILES: C.C.CC(C)c1ccnc2[nH]c(=O)[nH]c12.CC(C)c1ccnc2[nH]c(=O)n(C)c12.CC(C)c1ccnc2c1[nH]c(=O)n2C.CC(C)c1ccnc2c1n(C)c(=O)n2C
• InChI: InChI=1S/C11H15N3O.2C10H13N3O.C9H11N3O.2CH4/c1-7(2)8-5-6-12-10-9(8)13(3)11(15)14(10)4;1-6(2)7-4-5-11-9-8(7)13(3)10(14)12-9;1-6(2)7-4-5-11-9-8(7)12-10(14)13(9)3;1-5(2)6-3-4-10-8-7(6)11-9(13)12-8;;/h5-7H,1-4H3;4-6H,1-3H3,(H,11,12,14);4-6H,1-3H3,(H,12,14);3-5H,1-2H3,(H2,10,11,12,13);2*1H4
• InChIKey: FRTUZDDGBYKKKI-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 202.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	797.02
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;methane;1-methyl-7-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?

The IUPAC name of 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;methane;1-methyl-7-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 158122543) is 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;methane;1-methyl-7-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;methane;1-methyl-7-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;methane;1-methyl-7-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one is C.C.CC(C)c1ccnc2[nH]c(=O)[nH]c12.CC(C)c1ccnc2[nH]c(=O)n(C)c12.CC(C)c1ccnc2c1[nH]c(=O)n2C.CC(C)c1ccnc2c1n(C)c(=O)n2C.

What is the InChIKey of 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;methane;1-methyl-7-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?

The InChIKey is FRTUZDDGBYKKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.2C10H13N3O.C9H11N3O.2CH4/c1-7(2)8-5-6-12-10-9(8)13(3)11(15)14(10)4;1-6(2)7-4-5-11-9-8(7)13(3)10(14)12-9;1-6(2)7-4-5-11-9-8(7)12-10(14)13(9)3;1-5(2)6-3-4-10-8-7(6)11-9(13)12-8;;/h5-7H,1-4H3;4-6H,1-3H3,(H,11,12,14);4-6H,1-3H3,(H,12,14);3-5H,1-2H3,(H2,10,11,12,13);2*1H4.

What are the key properties of 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;methane;1-methyl-7-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?

1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;methane;1-methyl-7-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 797.02 g/mol, XLogP of 6.81, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;methane;1-methyl-7-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one;3-methyl-7-propan-2-yl-1H-imidazo[4,5-b]pyridin-2-one;7-propan-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 158122543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).