1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;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

C40H52N12O4 — CID 158290585

IUPAC1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;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
SMILESCC(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
InChIInChI=1S/C11H15N3O.2C10H13N3O.C9H11N3O/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)
InChIKeyGLHMUQFIFDDSBI-UHFFFAOYSA-N
MW764.94 g/mol
LogP5.54
Rot. Bonds4

About 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;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;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 158290585) has the molecular formula C40H52N12O4 and a molecular weight of 764.94 g/mol. Its IUPAC name is 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;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 Name1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;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 CID158290585
Molecular FormulaC40H52N12O4
Molecular Weight764.94 g/mol
Exact Mass764.42
IUPAC Name1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;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
SMILESCC(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
InChIInChI=1S/C11H15N3O.2C10H13N3O.C9H11N3O/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)
InChIKeyGLHMUQFIFDDSBI-UHFFFAOYSA-N
XLogP5.54
TPSA202.72 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500764.94
LogP ≤ 55.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;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 with MolForge

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Launch Full Analysis

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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
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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;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;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 158290585) is 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;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;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;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 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;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 GLHMUQFIFDDSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.2C10H13N3O.C9H11N3O/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).
What are the key properties of 1,3-dimethyl-7-propan-2-ylimidazo[4,5-b]pyridin-2-one;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;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 764.94 g/mol, XLogP of 5.54, 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;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 158290585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).