(2S)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(5-chloro-3-ethylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;bis((2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide);N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylpentanamide

C98H136Cl2N24O6 — CID 158199887

About (2S)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(5-chloro-3-ethylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;bis((2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide);N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylpentanamide

(2S)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(5-chloro-3-ethylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;bis((2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide);N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylpentanamide (PubChem CID 158199887) has the molecular formula C98H136Cl2N24O6 and a molecular weight of 1817.23 g/mol. Its IUPAC name is (2S)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(5-chloro-3-ethylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;bis((2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide);N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylpentanamide.

Molecular Properties

• Compound Name: (2S)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(5-chloro-3-ethylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;bis((2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide);N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylpentanamide
• PubChem CID: 158199887
• Molecular Formula: C98H136Cl2N24O6
• Molecular Weight: 1817.23 g/mol
• Exact Mass: 1815.05
• IUPAC Name: (2S)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(5-chloro-3-ethylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;bis((2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide);N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylpentanamide
• SMILES: CC(C)[C@H](C)C(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1.CC(C)[C@H](C)C(=O)Nc1nc2cccnc2n1C1CCC1.CCC(C)(C)CC(=O)Nc1nc2ccc(C)nc2n1C1CCC1.CCn1c(NC(=O)[C@@H](C)C(C)C)nc2ccc(Cl)nc21.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(C3CCC3)c2n1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(C3CCC3)c2n1
• InChI: InChI=1S/C18H26N4O.2C17H24N4O.C16H21ClN4O.C16H22N4O.C14H19ClN4O/c1-5-18(3,4)11-15(23)21-17-20-14-10-9-12(2)19-16(14)22(17)13-7-6-8-13;2*1-10(2)12(4)16(22)20-17-19-14-9-8-11(3)18-15(14)21(17)13-6-5-7-13;1-9(2)10(3)15(22)20-16-18-12-7-8-13(17)19-14(12)21(16)11-5-4-6-11;1-10(2)11(3)15(21)19-16-18-13-8-5-9-17-14(13)20(16)12-6-4-7-12;1-5-19-12-10(6-7-11(15)17-12)16-14(19)18-13(20)9(4)8(2)3/h9-10,13H,5-8,11H2,1-4H3,(H,20,21,23);2*8-10,12-13H,5-7H2,1-4H3,(H,19,20,22);7-11H,4-6H2,1-3H3,(H,18,20,22);5,8-12H,4,6-7H2,1-3H3,(H,18,19,21);6-9H,5H2,1-4H3,(H,16,18,20)/t;2*12-;10-;11-;9-/m.00000/s1
• InChIKey: GAUMAQANERJOSN-RLROXWIJSA-N
• XLogP: 22.38
• TPSA: 358.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 25
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1817.23
LogP ≤ 5	22.38
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(5-chloro-3-ethylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;bis((2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide);N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylpentanamide?

The IUPAC name of (2S)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(5-chloro-3-ethylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;bis((2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide);N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylpentanamide (CID 158199887) is (2S)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(5-chloro-3-ethylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;bis((2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide);N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylpentanamide.

What is the SMILES notation for (2S)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(5-chloro-3-ethylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;bis((2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide);N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylpentanamide?

The canonical SMILES for (2S)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(5-chloro-3-ethylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;bis((2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide);N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylpentanamide is CC(C)[C@H](C)C(=O)Nc1nc2ccc(Cl)nc2n1C1CCC1.CC(C)[C@H](C)C(=O)Nc1nc2cccnc2n1C1CCC1.CCC(C)(C)CC(=O)Nc1nc2ccc(C)nc2n1C1CCC1.CCn1c(NC(=O)[C@@H](C)C(C)C)nc2ccc(Cl)nc21.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(C3CCC3)c2n1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(C3CCC3)c2n1.

What is the InChIKey of (2S)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(5-chloro-3-ethylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;bis((2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide);N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylpentanamide?

The InChIKey is GAUMAQANERJOSN-RLROXWIJSA-N. The full InChI is InChI=1S/C18H26N4O.2C17H24N4O.C16H21ClN4O.C16H22N4O.C14H19ClN4O/c1-5-18(3,4)11-15(23)21-17-20-14-10-9-12(2)19-16(14)22(17)13-7-6-8-13;2*1-10(2)12(4)16(22)20-17-19-14-9-8-11(3)18-15(14)21(17)13-6-5-7-13;1-9(2)10(3)15(22)20-16-18-12-7-8-13(17)19-14(12)21(16)11-5-4-6-11;1-10(2)11(3)15(21)19-16-18-13-8-5-9-17-14(13)20(16)12-6-4-7-12;1-5-19-12-10(6-7-11(15)17-12)16-14(19)18-13(20)9(4)8(2)3/h9-10,13H,5-8,11H2,1-4H3,(H,20,21,23);2*8-10,12-13H,5-7H2,1-4H3,(H,19,20,22);7-11H,4-6H2,1-3H3,(H,18,20,22);5,8-12H,4,6-7H2,1-3H3,(H,18,19,21);6-9H,5H2,1-4H3,(H,16,18,20)/t;2*12-;10-;11-;9-/m.00000/s1.

What are the key properties of (2S)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(5-chloro-3-ethylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;bis((2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide);N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylpentanamide?

(2S)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(5-chloro-3-ethylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;bis((2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide);N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylpentanamide has a molecular weight of 1817.23 g/mol, XLogP of 22.38, 25 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(5-chloro-3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(5-chloro-3-ethylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;(2S)-N-(3-cyclobutylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide;bis((2S)-N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-2,3-dimethylbutanamide);N-(3-cyclobutyl-5-methylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylpentanamide is sourced from PubChem (CID 158199887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).