7-[2-(aminomethyl)-4-pyridinyl]-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(1H-indazol-5-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[2-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methoxy-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)pyridine-2-carbonitrile

C88H95Cl5N22O7 — CID 161347084

About 7-[2-(aminomethyl)-4-pyridinyl]-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(1H-indazol-5-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[2-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methoxy-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)pyridine-2-carbonitrile

7-[2-(aminomethyl)-4-pyridinyl]-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(1H-indazol-5-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[2-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methoxy-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)pyridine-2-carbonitrile (PubChem CID 161347084) has the molecular formula C88H95Cl5N22O7 and a molecular weight of 1750.14 g/mol. Its IUPAC name is 7-[2-(aminomethyl)-4-pyridinyl]-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(1H-indazol-5-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[2-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methoxy-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 7-[2-(aminomethyl)-4-pyridinyl]-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(1H-indazol-5-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[2-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methoxy-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)pyridine-2-carbonitrile
• PubChem CID: 161347084
• Molecular Formula: C88H95Cl5N22O7
• Molecular Weight: 1750.14 g/mol
• Exact Mass: 1746.62
• IUPAC Name: 7-[2-(aminomethyl)-4-pyridinyl]-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(1H-indazol-5-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[2-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methoxy-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)pyridine-2-carbonitrile
• SMILES: CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc4[nH]ncc4c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(OC)n3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccccc3COC)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccnc(C#N)c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccnc(CN)c3)c21
• InChI: InChI=1S/C19H22ClN3O2.C18H18ClN5O.C17H20ClN5O.C17H16ClN5O.C17H19ClN4O2/c1-4-13(5-2)23-17-16(14-9-7-6-8-12(14)11-25-3)15(20)10-21-18(17)22-19(23)24;1-3-12(4-2)24-16-15(13(19)9-20-17(16)22-18(24)25)10-5-6-14-11(7-10)8-21-23-14;2*1-3-12(4-2)23-15-14(10-5-6-20-11(7-10)8-19)13(18)9-21-16(15)22-17(23)24;1-4-10(5-2)22-15-14(12-7-6-8-13(20-12)24-3)11(18)9-19-16(15)21-17(22)23/h6-10,13H,4-5,11H2,1-3H3,(H,21,22,24);5-9,12H,3-4H2,1-2H3,(H,21,23)(H,20,22,25);5-7,9,12H,3-4,8,19H2,1-2H3,(H,21,22,24);5-7,9,12H,3-4H2,1-2H3,(H,21,22,24);6-10H,4-5H2,1-3H3,(H,19,21,23)
• InChIKey: VNLGWEAJDPDZCA-UHFFFAOYSA-N
• XLogP: 19.58
• TPSA: 389.02 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1750.14
LogP ≤ 5	19.58
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 7-[2-(aminomethyl)-4-pyridinyl]-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(1H-indazol-5-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[2-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methoxy-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)pyridine-2-carbonitrile?

The IUPAC name of 7-[2-(aminomethyl)-4-pyridinyl]-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(1H-indazol-5-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[2-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methoxy-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)pyridine-2-carbonitrile (CID 161347084) is 7-[2-(aminomethyl)-4-pyridinyl]-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(1H-indazol-5-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[2-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methoxy-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)pyridine-2-carbonitrile.

What is the SMILES notation for 7-[2-(aminomethyl)-4-pyridinyl]-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(1H-indazol-5-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[2-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methoxy-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)pyridine-2-carbonitrile?

The canonical SMILES for 7-[2-(aminomethyl)-4-pyridinyl]-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(1H-indazol-5-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[2-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methoxy-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)pyridine-2-carbonitrile is CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccc4[nH]ncc4c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3cccc(OC)n3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccccc3COC)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccnc(C#N)c3)c21.CCC(CC)n1c(=O)[nH]c2ncc(Cl)c(-c3ccnc(CN)c3)c21.

What is the InChIKey of 7-[2-(aminomethyl)-4-pyridinyl]-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(1H-indazol-5-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[2-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methoxy-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)pyridine-2-carbonitrile?

The InChIKey is VNLGWEAJDPDZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2.C18H18ClN5O.C17H20ClN5O.C17H16ClN5O.C17H19ClN4O2/c1-4-13(5-2)23-17-16(14-9-7-6-8-12(14)11-25-3)15(20)10-21-18(17)22-19(23)24;1-3-12(4-2)24-16-15(13(19)9-20-17(16)22-18(24)25)10-5-6-14-11(7-10)8-21-23-14;2*1-3-12(4-2)23-15-14(10-5-6-20-11(7-10)8-19)13(18)9-21-16(15)22-17(23)24;1-4-10(5-2)22-15-14(12-7-6-8-13(20-12)24-3)11(18)9-19-16(15)21-17(22)23/h6-10,13H,4-5,11H2,1-3H3,(H,21,22,24);5-9,12H,3-4H2,1-2H3,(H,21,23)(H,20,22,25);5-7,9,12H,3-4,8,19H2,1-2H3,(H,21,22,24);5-7,9,12H,3-4H2,1-2H3,(H,21,22,24);6-10H,4-5H2,1-3H3,(H,19,21,23).

What are the key properties of 7-[2-(aminomethyl)-4-pyridinyl]-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(1H-indazol-5-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[2-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methoxy-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)pyridine-2-carbonitrile?

7-[2-(aminomethyl)-4-pyridinyl]-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(1H-indazol-5-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[2-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methoxy-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)pyridine-2-carbonitrile has a molecular weight of 1750.14 g/mol, XLogP of 19.58, 24 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-(aminomethyl)-4-pyridinyl]-6-chloro-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(1H-indazol-5-yl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-[2-(methoxymethyl)phenyl]-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-7-(6-methoxy-2-pyridinyl)-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-2-one;4-(6-chloro-2-oxo-1-pentan-3-yl-3H-imidazo[4,5-b]pyridin-7-yl)pyridine-2-carbonitrile is sourced from PubChem (CID 161347084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).