6-chloro-1-(3,3-dimethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-2-methylpentan-3-yl]-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-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-phenylpropyl)-3H-imidazo[4,5-b]pyridin-2-one

C83H100Cl6N20O8 — CID 158614046

About 6-chloro-1-(3,3-dimethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-2-methylpentan-3-yl]-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-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-phenylpropyl)-3H-imidazo[4,5-b]pyridin-2-one

6-chloro-1-(3,3-dimethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-2-methylpentan-3-yl]-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-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-phenylpropyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 158614046) has the molecular formula C83H100Cl6N20O8 and a molecular weight of 1718.56 g/mol. Its IUPAC name is 6-chloro-1-(3,3-dimethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-2-methylpentan-3-yl]-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-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-phenylpropyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 6-chloro-1-(3,3-dimethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-2-methylpentan-3-yl]-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-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-phenylpropyl)-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 158614046
• Molecular Formula: C83H100Cl6N20O8
• Molecular Weight: 1718.56 g/mol
• Exact Mass: 1714.62
• IUPAC Name: 6-chloro-1-(3,3-dimethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-2-methylpentan-3-yl]-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-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-phenylpropyl)-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: CC(C)(C)CCn1c(=O)[nH]c2ncc(Cl)cc21.CC(CCn1c(=O)[nH]c2ncc(Cl)cc21)c1ccccc1.CC(Cn1c(=O)[nH]c2ncc(Cl)cc21)c1ccccc1.CC[C@@H](C(C)C)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Cl)cc21
• InChI: InChI=1S/C16H16ClN3O.C15H14ClN3O.2C14H19ClN4O2.2C12H16ClN3O/c1-11(12-5-3-2-4-6-12)7-8-20-14-9-13(17)10-18-15(14)19-16(20)21;1-10(11-5-3-2-4-6-11)9-19-13-7-12(16)8-17-14(13)18-15(19)20;2*1-2-11(9-18-3-5-21-6-4-18)19-12-7-10(15)8-16-13(12)17-14(19)20;1-12(2,3)4-5-16-9-6-8(13)7-14-10(9)15-11(16)17;1-4-9(7(2)3)16-10-5-8(13)6-14-11(10)15-12(16)17/h2-6,9-11H,7-8H2,1H3,(H,18,19,21);2-8,10H,9H2,1H3,(H,17,18,20);2*7-8,11H,2-6,9H2,1H3,(H,16,17,20);6-7H,4-5H2,1-3H3,(H,14,15,17);5-7,9H,4H2,1-3H3,(H,14,15,17)/t;;2*11-;;9-/m..10.0/s1
• InChIKey: HXEILTOTEHNYHB-OMUZSDOZSA-N
• XLogP: 15.88
• TPSA: 329.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1718.56
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(3,3-dimethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-2-methylpentan-3-yl]-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-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-phenylpropyl)-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of 6-chloro-1-(3,3-dimethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-2-methylpentan-3-yl]-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-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-phenylpropyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 158614046) is 6-chloro-1-(3,3-dimethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-2-methylpentan-3-yl]-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-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-phenylpropyl)-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for 6-chloro-1-(3,3-dimethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-2-methylpentan-3-yl]-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-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-phenylpropyl)-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for 6-chloro-1-(3,3-dimethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-2-methylpentan-3-yl]-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-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-phenylpropyl)-3H-imidazo[4,5-b]pyridin-2-one is CC(C)(C)CCn1c(=O)[nH]c2ncc(Cl)cc21.CC(CCn1c(=O)[nH]c2ncc(Cl)cc21)c1ccccc1.CC(Cn1c(=O)[nH]c2ncc(Cl)cc21)c1ccccc1.CC[C@@H](C(C)C)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Cl)cc21.CC[C@H](CN1CCOCC1)n1c(=O)[nH]c2ncc(Cl)cc21.

What is the InChIKey of 6-chloro-1-(3,3-dimethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-2-methylpentan-3-yl]-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-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-phenylpropyl)-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is HXEILTOTEHNYHB-OMUZSDOZSA-N. The full InChI is InChI=1S/C16H16ClN3O.C15H14ClN3O.2C14H19ClN4O2.2C12H16ClN3O/c1-11(12-5-3-2-4-6-12)7-8-20-14-9-13(17)10-18-15(14)19-16(20)21;1-10(11-5-3-2-4-6-11)9-19-13-7-12(16)8-17-14(13)18-15(19)20;2*1-2-11(9-18-3-5-21-6-4-18)19-12-7-10(15)8-16-13(12)17-14(19)20;1-12(2,3)4-5-16-9-6-8(13)7-14-10(9)15-11(16)17;1-4-9(7(2)3)16-10-5-8(13)6-14-11(10)15-12(16)17/h2-6,9-11H,7-8H2,1H3,(H,18,19,21);2-8,10H,9H2,1H3,(H,17,18,20);2*7-8,11H,2-6,9H2,1H3,(H,16,17,20);6-7H,4-5H2,1-3H3,(H,14,15,17);5-7,9H,4H2,1-3H3,(H,14,15,17)/t;;2*11-;;9-/m..10.0/s1.

What are the key properties of 6-chloro-1-(3,3-dimethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-2-methylpentan-3-yl]-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-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-phenylpropyl)-3H-imidazo[4,5-b]pyridin-2-one?

6-chloro-1-(3,3-dimethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-2-methylpentan-3-yl]-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-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-phenylpropyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 1718.56 g/mol, XLogP of 15.88, 20 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-(3,3-dimethylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-[(3S)-2-methylpentan-3-yl]-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-ylbutan-2-yl]-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(3-phenylbutyl)-3H-imidazo[4,5-b]pyridin-2-one;6-chloro-1-(2-phenylpropyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 158614046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).