7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethyl-2-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methyl-1-phenylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one

C84H92Cl6I2N20O7 — CID 159225813

About 7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethyl-2-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methyl-1-phenylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one

7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethyl-2-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methyl-1-phenylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 159225813) has the molecular formula C84H92Cl6I2N20O7 and a molecular weight of 1960.32 g/mol. Its IUPAC name is 7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethyl-2-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methyl-1-phenylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethyl-2-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methyl-1-phenylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 159225813
• Molecular Formula: C84H92Cl6I2N20O7
• Molecular Weight: 1960.32 g/mol
• Exact Mass: 1956.37
• IUPAC Name: 7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethyl-2-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methyl-1-phenylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: C=CCn1c(=O)[nH]c2ncc(Cl)c(I)c21.CC(C)(Cc1ccccc1)n1c(=O)[nH]c2ncc(Cl)cc21.CCC(CC)(Cn1c(=O)[nH]c2ncc(Cl)cc21)c1ccccc1.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C3=CCN(C(C)=O)CC3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C3=CCNCC3)c21.Cn1c(=O)[nH]c2ncc(Cl)c(I)c21
• InChI: InChI=1S/C18H23ClN4O2.C18H20ClN3O.C16H21ClN4O.C16H16ClN3O.C9H7ClIN3O.C7H5ClIN3O/c1-4-13(5-2)23-16-15(12-6-8-22(9-7-12)11(3)24)14(19)10-20-17(16)21-18(23)25;1-3-18(4-2,13-8-6-5-7-9-13)12-22-15-10-14(19)11-20-16(15)21-17(22)23;1-3-11(4-2)21-14-13(10-5-7-18-8-6-10)12(17)9-19-15(14)20-16(21)22;1-16(2,9-11-6-4-3-5-7-11)20-13-8-12(17)10-18-14(13)19-15(20)21;1-2-3-14-7-6(11)5(10)4-12-8(7)13-9(14)15;1-12-5-4(9)3(8)2-10-6(5)11-7(12)13/h6,10,13H,4-5,7-9H2,1-3H3,(H,20,21,25);5-11H,3-4,12H2,1-2H3,(H,20,21,23);5,9,11,18H,3-4,6-8H2,1-2H3,(H,19,20,22);3-8,10H,9H2,1-2H3,(H,18,19,21);2,4H,1,3H2,(H,12,13,15);2H,1H3,(H,10,11,13)
• InChIKey: KSGRNXDDLDFIIW-UHFFFAOYSA-N
• XLogP: 17.67
• TPSA: 336.42 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1960.32
LogP ≤ 5	17.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethyl-2-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methyl-1-phenylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethyl-2-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methyl-1-phenylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one (CID 159225813) is 7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethyl-2-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methyl-1-phenylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethyl-2-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methyl-1-phenylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethyl-2-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methyl-1-phenylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one is C=CCn1c(=O)[nH]c2ncc(Cl)c(I)c21.CC(C)(Cc1ccccc1)n1c(=O)[nH]c2ncc(Cl)cc21.CCC(CC)(Cn1c(=O)[nH]c2ncc(Cl)cc21)c1ccccc1.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C3=CCN(C(C)=O)CC3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C3=CCNCC3)c21.Cn1c(=O)[nH]c2ncc(Cl)c(I)c21.

What is the InChIKey of 7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethyl-2-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methyl-1-phenylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is KSGRNXDDLDFIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2.C18H20ClN3O.C16H21ClN4O.C16H16ClN3O.C9H7ClIN3O.C7H5ClIN3O/c1-4-13(5-2)23-16-15(12-6-8-22(9-7-12)11(3)24)14(19)10-20-17(16)21-18(23)25;1-3-18(4-2,13-8-6-5-7-9-13)12-22-15-10-14(19)11-20-16(15)21-17(22)23;1-3-11(4-2)21-14-13(10-5-7-18-8-6-10)12(17)9-19-15(14)20-16(21)22;1-16(2,9-11-6-4-3-5-7-11)20-13-8-12(17)10-18-14(13)19-15(20)21;1-2-3-14-7-6(11)5(10)4-12-8(7)13-9(14)15;1-12-5-4(9)3(8)2-10-6(5)11-7(12)13/h6,10,13H,4-5,7-9H2,1-3H3,(H,20,21,25);5-11H,3-4,12H2,1-2H3,(H,20,21,23);5,9,11,18H,3-4,6-8H2,1-2H3,(H,19,20,22);3-8,10H,9H2,1-2H3,(H,18,19,21);2,4H,1,3H2,(H,12,13,15);2H,1H3,(H,10,11,13).

What are the key properties of 7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethyl-2-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methyl-1-phenylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one?

7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethyl-2-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methyl-1-phenylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 1960.32 g/mol, XLogP of 17.67, 18 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-ethyl-2-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-methyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-iodo-1-prop-2-enyl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methyl-1-phenylpropan-2-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-(1,2,3,6-tetrahydropyridin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 159225813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).