6-chloro-1-[5-(diethylamino)pentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpentan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane

C97H123Cl7N26O10S — CID 158704337

About 6-chloro-1-[5-(diethylamino)pentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpentan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane

6-chloro-1-[5-(diethylamino)pentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpentan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane (PubChem CID 158704337) has the molecular formula C97H123Cl7N26O10S and a molecular weight of 2093.46 g/mol. Its IUPAC name is 6-chloro-1-[5-(diethylamino)pentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpentan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane.

Molecular Properties

• Compound Name: 6-chloro-1-[5-(diethylamino)pentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpentan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane
• PubChem CID: 158704337
• Molecular Formula: C97H123Cl7N26O10S
• Molecular Weight: 2093.46 g/mol
• Exact Mass: 2088.75
• IUPAC Name: 6-chloro-1-[5-(diethylamino)pentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpentan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane
• SMILES: CCC(C(C)C)n1c(=O)[nH]c2ncc(Cl)cc21.CCN(CC)CCCC(C)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CCO)n1c(=O)[nH]c2ncc(Cl)cc21.CN1CCCC1CCn1c(=O)[nH]c2ncc(Cl)cc21.O=c1[nH]c2ncc(Cl)cc2n1CCc1ccncc1.O=c1[nH]c2ncc(Cl)cc2n1[C@H](Cc1ccccc1)CN1CCOCC1.S
• InChI: InChI=1S/C19H21ClN4O2.C15H23ClN4O.C14H19ClN4O2.C13H11ClN4O.C13H17ClN4O.C12H16ClN3O.C11H14ClN3O2.H2S/c20-15-11-17-18(21-12-15)22-19(25)24(17)16(10-14-4-2-1-3-5-14)13-23-6-8-26-9-7-23;1-4-19(5-2)8-6-7-11(3)20-13-9-12(16)10-17-14(13)18-15(20)21;1-2-11(9-18-3-5-21-6-4-18)19-12-7-10(15)8-16-13(12)17-14(19)20;14-10-7-11-12(16-8-10)17-13(19)18(11)6-3-9-1-4-15-5-2-9;1-17-5-2-3-10(17)4-6-18-11-7-9(14)8-15-12(11)16-13(18)19;1-4-9(7(2)3)16-10-5-8(13)6-14-11(10)15-12(16)17;1-2-8(3-4-16)15-9-5-7(12)6-13-10(9)14-11(15)17;/h1-5,11-12,16H,6-10,13H2,(H,21,22,25);9-11H,4-8H2,1-3H3,(H,17,18,21);7-8,11H,2-6,9H2,1H3,(H,16,17,20);1-2,4-5,7-8H,3,6H2,(H,16,17,19);7-8,10H,2-6H2,1H3,(H,15,16,19);5-7,9H,4H2,1-3H3,(H,14,15,17);5-6,8,16H,2-4H2,1H3,(H,13,14,17);1H2/t16-;;11-;;;;8-;/m1.0...1./s1
• InChIKey: IHXUOLDXWROIGU-LVHCHITGSA-N
• XLogP: 15.90
• TPSA: 419.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 29
• Rotatable Bonds: 29
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2093.46
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[5-(diethylamino)pentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpentan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

The IUPAC name of 6-chloro-1-[5-(diethylamino)pentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpentan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane (CID 158704337) is 6-chloro-1-[5-(diethylamino)pentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpentan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane.

What is the SMILES notation for 6-chloro-1-[5-(diethylamino)pentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpentan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

The canonical SMILES for 6-chloro-1-[5-(diethylamino)pentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpentan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane is CCC(C(C)C)n1c(=O)[nH]c2ncc(Cl)cc21.CCN(CC)CCCC(C)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CCO)n1c(=O)[nH]c2ncc(Cl)cc21.CN1CCCC1CCn1c(=O)[nH]c2ncc(Cl)cc21.O=c1[nH]c2ncc(Cl)cc2n1CCc1ccncc1.O=c1[nH]c2ncc(Cl)cc2n1[C@H](Cc1ccccc1)CN1CCOCC1.S.

What is the InChIKey of 6-chloro-1-[5-(diethylamino)pentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpentan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

The InChIKey is IHXUOLDXWROIGU-LVHCHITGSA-N. The full InChI is InChI=1S/C19H21ClN4O2.C15H23ClN4O.C14H19ClN4O2.C13H11ClN4O.C13H17ClN4O.C12H16ClN3O.C11H14ClN3O2.H2S/c20-15-11-17-18(21-12-15)22-19(25)24(17)16(10-14-4-2-1-3-5-14)13-23-6-8-26-9-7-23;1-4-19(5-2)8-6-7-11(3)20-13-9-12(16)10-17-14(13)18-15(20)21;1-2-11(9-18-3-5-21-6-4-18)19-12-7-10(15)8-16-13(12)17-14(19)20;14-10-7-11-12(16-8-10)17-13(19)18(11)6-3-9-1-4-15-5-2-9;1-17-5-2-3-10(17)4-6-18-11-7-9(14)8-15-12(11)16-13(18)19;1-4-9(7(2)3)16-10-5-8(13)6-14-11(10)15-12(16)17;1-2-8(3-4-16)15-9-5-7(12)6-13-10(9)14-11(15)17;/h1-5,11-12,16H,6-10,13H2,(H,21,22,25);9-11H,4-8H2,1-3H3,(H,17,18,21);7-8,11H,2-6,9H2,1H3,(H,16,17,20);1-2,4-5,7-8H,3,6H2,(H,16,17,19);7-8,10H,2-6H2,1H3,(H,15,16,19);5-7,9H,4H2,1-3H3,(H,14,15,17);5-6,8,16H,2-4H2,1H3,(H,13,14,17);1H2/t16-;;11-;;;;8-;/m1.0...1./s1.

What are the key properties of 6-chloro-1-[5-(diethylamino)pentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpentan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane?

6-chloro-1-[5-(diethylamino)pentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpentan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane has a molecular weight of 2093.46 g/mol, XLogP of 15.90, 29 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-[5-(diethylamino)pentan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3R)-1-hydroxypentan-3-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-methylpentan-3-yl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2S)-1-morpholin-4-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(2R)-1-morpholin-4-yl-3-phenylpropan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one;sulfane is sourced from PubChem (CID 158704337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).