(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;N-[3-(5-fluoro-2-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

C100H135ClFN25O6 — CID 158334471

About (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;N-[3-(5-fluoro-2-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-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;N-[3-(5-fluoro-2-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 158334471) has the molecular formula C100H135ClFN25O6 and a molecular weight of 1837.80 g/mol. Its IUPAC name is (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;N-[3-(5-fluoro-2-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: (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;N-[3-(5-fluoro-2-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
• PubChem CID: 158334471
• Molecular Formula: C100H135ClFN25O6
• Molecular Weight: 1837.80 g/mol
• Exact Mass: 1836.07
• IUPAC Name: (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;N-[3-(5-fluoro-2-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
• SMILES: 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)CC(C)(C)C)n(-c3ccc(F)cn3)c2n1.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/C18H20FN5O.C18H26N4O.2C17H24N4O.C16H22N4O.C14H19ClN4O/c1-11-5-7-13-16(21-11)24(14-8-6-12(19)10-20-14)17(22-13)23-15(25)9-18(2,3)4;1-5-18(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;1-10(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/h5-8,10H,9H2,1-4H3,(H,22,23,25);9-10,13H,5-8,11H2,1-4H3,(H,20,21,23);2*8-10,12-13H,5-7H2,1-4H3,(H,19,20,22);5,8-12H,4,6-7H2,1-3H3,(H,18,19,21);6-9H,5H2,1-4H3,(H,16,18,20)/t;;2*12-;11-;9-/m..0000/s1
• InChIKey: GQKHYAZPQGOSQR-ZPZXHWLOSA-N
• XLogP: 21.98
• TPSA: 371.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1837.80
LogP ≤ 5	21.98
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

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-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;N-[3-(5-fluoro-2-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

The IUPAC name of (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;N-[3-(5-fluoro-2-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (CID 158334471) is (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;N-[3-(5-fluoro-2-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

What is the SMILES notation for (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;N-[3-(5-fluoro-2-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

The canonical SMILES for (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;N-[3-(5-fluoro-2-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is 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)CC(C)(C)C)n(-c3ccc(F)cn3)c2n1.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-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;N-[3-(5-fluoro-2-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

The InChIKey is GQKHYAZPQGOSQR-ZPZXHWLOSA-N. The full InChI is InChI=1S/C18H20FN5O.C18H26N4O.2C17H24N4O.C16H22N4O.C14H19ClN4O/c1-11-5-7-13-16(21-11)24(14-8-6-12(19)10-20-14)17(22-13)23-15(25)9-18(2,3)4;1-5-18(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;1-10(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/h5-8,10H,9H2,1-4H3,(H,22,23,25);9-10,13H,5-8,11H2,1-4H3,(H,20,21,23);2*8-10,12-13H,5-7H2,1-4H3,(H,19,20,22);5,8-12H,4,6-7H2,1-3H3,(H,18,19,21);6-9H,5H2,1-4H3,(H,16,18,20)/t;;2*12-;11-;9-/m..0000/s1.

What are the key properties of (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;N-[3-(5-fluoro-2-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-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;N-[3-(5-fluoro-2-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 1837.80 g/mol, XLogP of 21.98, 24 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (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;N-[3-(5-fluoro-2-pyridinyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 158334471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).