tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-4-hydroxypiperidine-1-carboxylate;6-chloro-7-[(E)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(E)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(Z)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one

C105H137Cl6N23O13 — CID 161378252

About tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-4-hydroxypiperidine-1-carboxylate;6-chloro-7-[(E)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(E)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(Z)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-prop-1-en-2-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)-4-hydroxypiperidine-1-carboxylate;6-chloro-7-[(E)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(E)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(Z)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 161378252) has the molecular formula C105H137Cl6N23O13 and a molecular weight of 2142.12 g/mol. Its IUPAC name is tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-4-hydroxypiperidine-1-carboxylate;6-chloro-7-[(E)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(E)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(Z)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-4-hydroxypiperidine-1-carboxylate;6-chloro-7-[(E)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(E)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(Z)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 161378252
• Molecular Formula: C105H137Cl6N23O13
• Molecular Weight: 2142.12 g/mol
• Exact Mass: 2137.89
• IUPAC Name: tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-4-hydroxypiperidine-1-carboxylate;6-chloro-7-[(E)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(E)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(Z)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: C=C(C)c1c(Cl)cnc2[nH]c(=O)n(C(CC)CC)c12.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(/C=N/OCC(C)C)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(/C=N/OCc3ccccc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(/C=N\OCC(C)C)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(/C=N\OCc3ccccc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C3(O)CCN(C(=O)OC(C)(C)C)CC3)c21
• InChI: InChI=1S/C21H31ClN4O4.2C19H21ClN4O2.2C16H23ClN4O2.C14H18ClN3O/c1-6-13(7-2)26-16-15(14(22)12-23-17(16)24-18(26)27)21(29)8-10-25(11-9-21)19(28)30-20(3,4)5;2*1-3-14(4-2)24-17-15(16(20)11-21-18(17)23-19(24)25)10-22-26-12-13-8-6-5-7-9-13;2*1-5-11(6-2)21-14-12(7-19-23-9-10(3)4)13(17)8-18-15(14)20-16(21)22;1-5-9(6-2)18-12-11(8(3)4)10(15)7-16-13(12)17-14(18)19/h12-13,29H,6-11H2,1-5H3,(H,23,24,27);2*5-11,14H,3-4,12H2,1-2H3,(H,21,23,25);2*7-8,10-11H,5-6,9H2,1-4H3,(H,18,20,22);7,9H,3,5-6H2,1-2,4H3,(H,16,17,19)/b;22-10+;22-10-;19-7+;19-7-
• InChIKey: VRJDGQUMPCTWTI-SOUHJQHFSA-N
• XLogP: 23.80
• TPSA: 440.21 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2142.12
LogP ≤ 5	23.80
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

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 tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-4-hydroxypiperidine-1-carboxylate;6-chloro-7-[(E)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(E)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(Z)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-4-hydroxypiperidine-1-carboxylate;6-chloro-7-[(E)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(E)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(Z)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one (CID 161378252) is tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-4-hydroxypiperidine-1-carboxylate;6-chloro-7-[(E)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(E)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(Z)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-4-hydroxypiperidine-1-carboxylate;6-chloro-7-[(E)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(E)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(Z)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-4-hydroxypiperidine-1-carboxylate;6-chloro-7-[(E)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(E)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(Z)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one is C=C(C)c1c(Cl)cnc2[nH]c(=O)n(C(CC)CC)c12.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(/C=N/OCC(C)C)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(/C=N/OCc3ccccc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(/C=N\OCC(C)C)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(/C=N\OCc3ccccc3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C3(O)CCN(C(=O)OC(C)(C)C)CC3)c21.

What is the InChIKey of tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-4-hydroxypiperidine-1-carboxylate;6-chloro-7-[(E)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(E)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(Z)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is VRJDGQUMPCTWTI-SOUHJQHFSA-N. The full InChI is InChI=1S/C21H31ClN4O4.2C19H21ClN4O2.2C16H23ClN4O2.C14H18ClN3O/c1-6-13(7-2)26-16-15(14(22)12-23-17(16)24-18(26)27)21(29)8-10-25(11-9-21)19(28)30-20(3,4)5;2*1-3-14(4-2)24-17-15(16(20)11-21-18(17)23-19(24)25)10-22-26-12-13-8-6-5-7-9-13;2*1-5-11(6-2)21-14-12(7-19-23-9-10(3)4)13(17)8-18-15(14)20-16(21)22;1-5-9(6-2)18-12-11(8(3)4)10(15)7-16-13(12)17-14(18)19/h12-13,29H,6-11H2,1-5H3,(H,23,24,27);2*5-11,14H,3-4,12H2,1-2H3,(H,21,23,25);2*7-8,10-11H,5-6,9H2,1-4H3,(H,18,20,22);7,9H,3,5-6H2,1-2,4H3,(H,16,17,19)/b;22-10+;22-10-;19-7+;19-7-;.

What are the key properties of tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-4-hydroxypiperidine-1-carboxylate;6-chloro-7-[(E)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(E)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(Z)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-prop-1-en-2-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)-4-hydroxypiperidine-1-carboxylate;6-chloro-7-[(E)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(E)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(Z)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 2142.12 g/mol, XLogP of 23.80, 36 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)-4-hydroxypiperidine-1-carboxylate;6-chloro-7-[(E)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[(Z)-2-methylpropoxyiminomethyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(E)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-[(Z)-phenylmethoxyiminomethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-pentan-3-yl-7-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 161378252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).