7-(aminomethyl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide;6-chloro-7-(1-hydroxyethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-hydroxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methoxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-6-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-prop-1-ynyl-3H-imidazo[4,5-b]pyridin-2-one

C104H141Cl3N26O12 — CID 160794852

About 7-(aminomethyl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide;6-chloro-7-(1-hydroxyethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-hydroxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methoxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-6-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-prop-1-ynyl-3H-imidazo[4,5-b]pyridin-2-one

7-(aminomethyl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide;6-chloro-7-(1-hydroxyethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-hydroxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methoxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-6-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-prop-1-ynyl-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 160794852) has the molecular formula C104H141Cl3N26O12 and a molecular weight of 2053.80 g/mol. Its IUPAC name is 7-(aminomethyl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide;6-chloro-7-(1-hydroxyethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-hydroxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methoxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-6-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-prop-1-ynyl-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 7-(aminomethyl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide;6-chloro-7-(1-hydroxyethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-hydroxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methoxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-6-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-prop-1-ynyl-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 160794852
• Molecular Formula: C104H141Cl3N26O12
• Molecular Weight: 2053.80 g/mol
• Exact Mass: 2051.03
• IUPAC Name: 7-(aminomethyl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide;6-chloro-7-(1-hydroxyethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-hydroxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methoxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-6-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-prop-1-ynyl-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: C=C(C)c1cnc2[nH]c(=O)n(C(CC)CC)c2c1.C=C(C)c1cnc2[nH]c(=O)n(C(CC)CC)c2c1.CC#Cc1cnc2[nH]c(=O)n(C(CC)CC)c2c1.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C(=O)N(C)C)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C(C)O)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(CN)c21.CCC(CC)n1c(=O)[nH]c2ncc(O)cc21.CCC(CC)n1c(=O)[nH]c2ncc(OC)cc21
• InChI: InChI=1S/C14H19ClN4O2.2C14H19N3O.C14H17N3O.C13H18ClN3O2.C12H17ClN4O.C12H17N3O2.C11H15N3O2/c1-5-8(6-2)19-11-10(13(20)18(3)4)9(15)7-16-12(11)17-14(19)21;2*1-5-11(6-2)17-12-7-10(9(3)4)8-15-13(12)16-14(17)18;1-4-7-10-8-12-13(15-9-10)16-14(18)17(12)11(5-2)6-3;1-4-8(5-2)17-11-10(7(3)18)9(14)6-15-12(11)16-13(17)19;1-3-7(4-2)17-10-8(5-14)9(13)6-15-11(10)16-12(17)18;1-4-8(5-2)15-10-6-9(17-3)7-13-11(10)14-12(15)16;1-3-7(4-2)14-9-5-8(15)6-12-10(9)13-11(14)16/h7-8H,5-6H2,1-4H3,(H,16,17,21);2*7-8,11H,3,5-6H2,1-2,4H3,(H,15,16,18);8-9,11H,5-6H2,1-3H3,(H,15,16,18);6-8,18H,4-5H2,1-3H3,(H,15,16,19);6-7H,3-5,14H2,1-2H3,(H,15,16,18);6-8H,4-5H2,1-3H3,(H,13,14,16);5-7,15H,3-4H2,1-2H3,(H,12,13,16)
• InChIKey: SCHPUYNXKBBSIR-UHFFFAOYSA-N
• XLogP: 20.01
• TPSA: 501.46 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 30
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2053.80
LogP ≤ 5	20.01
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide;6-chloro-7-(1-hydroxyethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-hydroxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methoxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-6-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-prop-1-ynyl-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 7-(aminomethyl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide;6-chloro-7-(1-hydroxyethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-hydroxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methoxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-6-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-prop-1-ynyl-3H-imidazo[4,5-b]pyridin-2-one (CID 160794852) is 7-(aminomethyl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide;6-chloro-7-(1-hydroxyethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-hydroxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methoxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-6-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-prop-1-ynyl-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 7-(aminomethyl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide;6-chloro-7-(1-hydroxyethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-hydroxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methoxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-6-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-prop-1-ynyl-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 7-(aminomethyl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide;6-chloro-7-(1-hydroxyethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-hydroxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methoxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-6-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-prop-1-ynyl-3H-imidazo[4,5-b]pyridin-2-one is C=C(C)c1cnc2[nH]c(=O)n(C(CC)CC)c2c1.C=C(C)c1cnc2[nH]c(=O)n(C(CC)CC)c2c1.CC#Cc1cnc2[nH]c(=O)n(C(CC)CC)c2c1.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C(=O)N(C)C)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(C(C)O)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(CN)c21.CCC(CC)n1c(=O)[nH]c2ncc(O)cc21.CCC(CC)n1c(=O)[nH]c2ncc(OC)cc21.

What is the InChIKey of 7-(aminomethyl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide;6-chloro-7-(1-hydroxyethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-hydroxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methoxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-6-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-prop-1-ynyl-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is SCHPUYNXKBBSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O2.2C14H19N3O.C14H17N3O.C13H18ClN3O2.C12H17ClN4O.C12H17N3O2.C11H15N3O2/c1-5-8(6-2)19-11-10(13(20)18(3)4)9(15)7-16-12(11)17-14(19)21;2*1-5-11(6-2)17-12-7-10(9(3)4)8-15-13(12)16-14(17)18;1-4-7-10-8-12-13(15-9-10)16-14(18)17(12)11(5-2)6-3;1-4-8(5-2)17-11-10(7(3)18)9(14)6-15-12(11)16-13(17)19;1-3-7(4-2)17-10-8(5-14)9(13)6-15-11(10)16-12(17)18;1-4-8(5-2)15-10-6-9(17-3)7-13-11(10)14-12(15)16;1-3-7(4-2)14-9-5-8(15)6-12-10(9)13-11(14)16/h7-8H,5-6H2,1-4H3,(H,16,17,21);2*7-8,11H,3,5-6H2,1-2,4H3,(H,15,16,18);8-9,11H,5-6H2,1-3H3,(H,15,16,18);6-8,18H,4-5H2,1-3H3,(H,15,16,19);6-7H,3-5,14H2,1-2H3,(H,15,16,18);6-8H,4-5H2,1-3H3,(H,13,14,16);5-7,15H,3-4H2,1-2H3,(H,12,13,16).

What are the key properties of 7-(aminomethyl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide;6-chloro-7-(1-hydroxyethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-hydroxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methoxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-6-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-prop-1-ynyl-3H-imidazo[4,5-b]pyridin-2-one?

7-(aminomethyl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide;6-chloro-7-(1-hydroxyethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-hydroxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methoxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-6-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-prop-1-ynyl-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 2053.80 g/mol, XLogP of 20.01, 30 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(aminomethyl)-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-N,N-dimethyl-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxamide;6-chloro-7-(1-hydroxyethyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-hydroxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-methoxy-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;bis(1-pentan-3-yl-6-prop-1-en-2-yl-3H-imidazo[4,5-b]pyridin-2-one);1-pentan-3-yl-6-prop-1-ynyl-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 160794852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).