6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid

C101H126Cl3F3N28O14 — CID 159146487

IUPAC6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCCC(CC(C)C)n1c(=O)[nH]c2ncc(Cl)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C(=O)N(C)C)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C(=O)NC)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C(=O)O)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C(C)=O)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C(N)=O)cc21.CCC(c1cccnc1)n1c(=O)[nH]c2ncc(Cl)cc21.CCC(n1c(=O)[nH]c2ncc(Cl)cc21)C(F)(F)F
InChIInChI=1S/C14H13ClN4O.C14H20N4O2.C13H18ClN3O.C13H18N4O2.C13H17N3O2.C12H16N4O2.C12H15N3O3.C10H9ClF3N3O/c1-2-11(9-4-3-5-16-7-9)19-12-6-10(15)8-17-13(12)18-14(19)20;1-5-10(6-2)18-11-7-9(13(19)17(3)4)8-15-12(11)16-14(18)20;1-4-10(5-8(2)3)17-11-6-9(14)7-15-12(11)16-13(17)18;1-4-9(5-2)17-10-6-8(12(18)14-3)7-15-11(10)16-13(17)19;1-4-10(5-2)16-11-6-9(8(3)17)7-14-12(11)15-13(16)18;1-3-8(4-2)16-9-5-7(10(13)17)6-14-11(9)15-12(16)18;1-3-8(4-2)15-9-5-7(11(16)17)6-13-10(9)14-12(15)18;1-2-7(10(12,13)14)17-6-3-5(11)4-15-8(6)16-9(17)18/h3-8,11H,2H2,1H3,(H,17,18,20);7-8,10H,5-6H2,1-4H3,(H,15,16,20);6-8,10H,4-5H2,1-3H3,(H,15,16,18);6-7,9H,4-5H2,1-3H3,(H,14,18)(H,15,16,19);6-7,10H,4-5H2,1-3H3,(H,14,15,18);5-6,8H,3-4H2,1-2H3,(H2,13,17)(H,14,15,18);5-6,8H,3-4H2,1-2H3,(H,16,17)(H,13,14,18);3-4,7H,2H2,1H3,(H,15,16,18)
InChIKeyKISZYFQJWZWFFH-UHFFFAOYSA-N
MW2119.65 g/mol
LogP17.53
Rot. Bonds29

About 6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid

6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 159146487) has the molecular formula C101H126Cl3F3N28O14 and a molecular weight of 2119.65 g/mol. Its IUPAC name is 6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID159146487
Molecular FormulaC101H126Cl3F3N28O14
Molecular Weight2119.65 g/mol
Exact Mass2116.90
IUPAC Name6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCCC(CC(C)C)n1c(=O)[nH]c2ncc(Cl)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C(=O)N(C)C)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C(=O)NC)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C(=O)O)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C(C)=O)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C(N)=O)cc21.CCC(c1cccnc1)n1c(=O)[nH]c2ncc(Cl)cc21.CCC(n1c(=O)[nH]c2ncc(Cl)cc21)C(F)(F)F
InChIInChI=1S/C14H13ClN4O.C14H20N4O2.C13H18ClN3O.C13H18N4O2.C13H17N3O2.C12H16N4O2.C12H15N3O3.C10H9ClF3N3O/c1-2-11(9-4-3-5-16-7-9)19-12-6-10(15)8-17-13(12)18-14(19)20;1-5-10(6-2)18-11-7-9(13(19)17(3)4)8-15-12(11)16-14(18)20;1-4-10(5-8(2)3)17-11-6-9(14)7-15-12(11)16-13(17)18;1-4-9(5-2)17-10-6-8(12(18)14-3)7-15-11(10)16-13(17)19;1-4-10(5-2)16-11-6-9(8(3)17)7-14-12(11)15-13(16)18;1-3-8(4-2)16-9-5-7(10(13)17)6-14-11(9)15-12(16)18;1-3-8(4-2)15-9-5-7(11(16)17)6-13-10(9)14-12(15)18;1-2-7(10(12,13)14)17-6-3-5(11)4-15-8(6)16-9(17)18/h3-8,11H,2H2,1H3,(H,17,18,20);7-8,10H,5-6H2,1-4H3,(H,15,16,20);6-8,10H,4-5H2,1-3H3,(H,15,16,18);6-7,9H,4-5H2,1-3H3,(H,14,18)(H,15,16,19);6-7,10H,4-5H2,1-3H3,(H,14,15,18);5-6,8H,3-4H2,1-2H3,(H2,13,17)(H,14,15,18);5-6,8H,3-4H2,1-2H3,(H,16,17)(H,13,14,18);3-4,7H,2H2,1H3,(H,15,16,18)
InChIKeyKISZYFQJWZWFFH-UHFFFAOYSA-N
XLogP17.53
TPSA565.20 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002119.65
LogP ≤ 517.53
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Analyze 6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 159146487) is 6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid is CCC(CC(C)C)n1c(=O)[nH]c2ncc(Cl)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C(=O)N(C)C)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C(=O)NC)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C(=O)O)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C(C)=O)cc21.CCC(CC)n1c(=O)[nH]c2ncc(C(N)=O)cc21.CCC(c1cccnc1)n1c(=O)[nH]c2ncc(Cl)cc21.CCC(n1c(=O)[nH]c2ncc(Cl)cc21)C(F)(F)F.
What is the InChIKey of 6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is KISZYFQJWZWFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O.C14H20N4O2.C13H18ClN3O.C13H18N4O2.C13H17N3O2.C12H16N4O2.C12H15N3O3.C10H9ClF3N3O/c1-2-11(9-4-3-5-16-7-9)19-12-6-10(15)8-17-13(12)18-14(19)20;1-5-10(6-2)18-11-7-9(13(19)17(3)4)8-15-12(11)16-14(18)20;1-4-10(5-8(2)3)17-11-6-9(14)7-15-12(11)16-13(17)18;1-4-9(5-2)17-10-6-8(12(18)14-3)7-15-11(10)16-13(17)19;1-4-10(5-2)16-11-6-9(8(3)17)7-14-12(11)15-13(16)18;1-3-8(4-2)16-9-5-7(10(13)17)6-14-11(9)15-12(16)18;1-3-8(4-2)15-9-5-7(11(16)17)6-13-10(9)14-12(15)18;1-2-7(10(12,13)14)17-6-3-5(11)4-15-8(6)16-9(17)18/h3-8,11H,2H2,1H3,(H,17,18,20);7-8,10H,5-6H2,1-4H3,(H,15,16,20);6-8,10H,4-5H2,1-3H3,(H,15,16,18);6-7,9H,4-5H2,1-3H3,(H,14,18)(H,15,16,19);6-7,10H,4-5H2,1-3H3,(H,14,15,18);5-6,8H,3-4H2,1-2H3,(H2,13,17)(H,14,15,18);5-6,8H,3-4H2,1-2H3,(H,16,17)(H,13,14,18);3-4,7H,2H2,1H3,(H,15,16,18).
What are the key properties of 6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid?
6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 2119.65 g/mol, XLogP of 17.53, 29 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(5-methylhexan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1-pyridin-3-ylpropyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(1,1,1-trifluorobutan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;N-methyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxamide;2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 159146487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).