7-(1-acetyl-4-hydroxypiperidin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7-(4-hydroxypiperidin-4-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one

C87H123Cl5N20O12 — CID 159156906

About 7-(1-acetyl-4-hydroxypiperidin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7-(4-hydroxypiperidin-4-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one

7-(1-acetyl-4-hydroxypiperidin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7-(4-hydroxypiperidin-4-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 159156906) has the molecular formula C87H123Cl5N20O12 and a molecular weight of 1818.33 g/mol. Its IUPAC name is 7-(1-acetyl-4-hydroxypiperidin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7-(4-hydroxypiperidin-4-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 7-(1-acetyl-4-hydroxypiperidin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7-(4-hydroxypiperidin-4-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 159156906
• Molecular Formula: C87H123Cl5N20O12
• Molecular Weight: 1818.33 g/mol
• Exact Mass: 1814.81
• IUPAC Name: 7-(1-acetyl-4-hydroxypiperidin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7-(4-hydroxypiperidin-4-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(/C=N/OC(C)(C)C)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(/C=N\OC(C)(C)C)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C3(O)CCN(C(C)=O)CC3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C3(O)CCNCC3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C3=CCN(C(=O)OC(C)(C)C)CC3)c21
• InChI: InChI=1S/C21H29ClN4O3.C18H25ClN4O3.3C16H23ClN4O2/c1-6-14(7-2)26-17-16(15(22)12-23-18(17)24-19(26)27)13-8-10-25(11-9-13)20(28)29-21(3,4)5;1-4-12(5-2)23-15-14(13(19)10-20-16(15)21-17(23)25)18(26)6-8-22(9-7-18)11(3)24;1-3-10(4-2)21-13-12(16(23)5-7-18-8-6-16)11(17)9-19-14(13)20-15(21)22;2*1-6-10(7-2)21-13-11(8-19-23-16(3,4)5)12(17)9-18-14(13)20-15(21)22/h8,12,14H,6-7,9-11H2,1-5H3,(H,23,24,27);10,12,26H,4-9H2,1-3H3,(H,20,21,25);9-10,18,23H,3-8H2,1-2H3,(H,19,20,22);2*8-10H,6-7H2,1-5H3,(H,18,20,22)/b;;;19-8+;19-8-
• InChIKey: KJZUEVKEXVONJG-BMWNBRHESA-N
• XLogP: 17.42
• TPSA: 398.92 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1818.33
LogP ≤ 5	17.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(1-acetyl-4-hydroxypiperidin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7-(4-hydroxypiperidin-4-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 7-(1-acetyl-4-hydroxypiperidin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7-(4-hydroxypiperidin-4-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one (CID 159156906) is 7-(1-acetyl-4-hydroxypiperidin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7-(4-hydroxypiperidin-4-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 7-(1-acetyl-4-hydroxypiperidin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7-(4-hydroxypiperidin-4-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 7-(1-acetyl-4-hydroxypiperidin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7-(4-hydroxypiperidin-4-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one is CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(/C=N/OC(C)(C)C)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(/C=N\OC(C)(C)C)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C3(O)CCN(C(C)=O)CC3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C3(O)CCNCC3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C3=CCN(C(=O)OC(C)(C)C)CC3)c21.

What is the InChIKey of 7-(1-acetyl-4-hydroxypiperidin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7-(4-hydroxypiperidin-4-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is KJZUEVKEXVONJG-BMWNBRHESA-N. The full InChI is InChI=1S/C21H29ClN4O3.C18H25ClN4O3.3C16H23ClN4O2/c1-6-14(7-2)26-17-16(15(22)12-23-18(17)24-19(26)27)13-8-10-25(11-9-13)20(28)29-21(3,4)5;1-4-12(5-2)23-15-14(13(19)10-20-16(15)21-17(23)25)18(26)6-8-22(9-7-18)11(3)24;1-3-10(4-2)21-13-12(16(23)5-7-18-8-6-16)11(17)9-19-14(13)20-15(21)22;2*1-6-10(7-2)21-13-11(8-19-23-16(3,4)5)12(17)9-18-14(13)20-15(21)22/h8,12,14H,6-7,9-11H2,1-5H3,(H,23,24,27);10,12,26H,4-9H2,1-3H3,(H,20,21,25);9-10,18,23H,3-8H2,1-2H3,(H,19,20,22);2*8-10H,6-7H2,1-5H3,(H,18,20,22)/b;;;19-8+;19-8-.

What are the key properties of 7-(1-acetyl-4-hydroxypiperidin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7-(4-hydroxypiperidin-4-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one?

7-(1-acetyl-4-hydroxypiperidin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7-(4-hydroxypiperidin-4-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 1818.33 g/mol, XLogP of 17.42, 22 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1-acetyl-4-hydroxypiperidin-4-yl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;6-chloro-7-(4-hydroxypiperidin-4-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-(2-methylpropan-2-yl)oxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 159156906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).