(2S)-N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

C63H80F4N12O7 — CID 159237204

About (2S)-N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide

(2S)-N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (PubChem CID 159237204) has the molecular formula C63H80F4N12O7 and a molecular weight of 1193.40 g/mol. Its IUPAC name is (2S)-N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: (2S)-N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
• PubChem CID: 159237204
• Molecular Formula: C63H80F4N12O7
• Molecular Weight: 1193.40 g/mol
• Exact Mass: 1192.62
• IUPAC Name: (2S)-N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
• SMILES: CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)nc2n1-c1ccc(OC(F)(F)F)cc1.CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)nc2n1C1(C)CCC1.CC(C)[C@H](C)C(=O)Nc1nc2ccc(C(C)(C)O)nc2n1-c1ccc(F)cc1
• InChI: InChI=1S/C22H25F3N4O3.C21H25FN4O2.C20H30N4O2/c1-20(2,3)12-17(30)28-19-26-15-10-11-16(21(4,5)31)27-18(15)29(19)13-6-8-14(9-7-13)32-22(23,24)25;1-12(2)13(3)19(27)25-20-23-16-10-11-17(21(4,5)28)24-18(16)26(20)15-8-6-14(22)7-9-15;1-18(2,3)12-15(25)23-17-21-13-8-9-14(19(4,5)26)22-16(13)24(17)20(6)10-7-11-20/h6-11,31H,12H2,1-5H3,(H,26,28,30);6-13,28H,1-5H3,(H,23,25,27);8-9,26H,7,10-12H2,1-6H3,(H,21,23,25)/t;13-;/m.0./s1
• InChIKey: KTPYQYYEKGTMGQ-QESDSITOSA-N
• XLogP: 12.87
• TPSA: 249.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1193.40
LogP ≤ 5	12.87
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

The IUPAC name of (2S)-N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide (CID 159237204) is (2S)-N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide.

What is the SMILES notation for (2S)-N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

The canonical SMILES for (2S)-N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)nc2n1-c1ccc(OC(F)(F)F)cc1.CC(C)(C)CC(=O)Nc1nc2ccc(C(C)(C)O)nc2n1C1(C)CCC1.CC(C)[C@H](C)C(=O)Nc1nc2ccc(C(C)(C)O)nc2n1-c1ccc(F)cc1.

What is the InChIKey of (2S)-N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

The InChIKey is KTPYQYYEKGTMGQ-QESDSITOSA-N. The full InChI is InChI=1S/C22H25F3N4O3.C21H25FN4O2.C20H30N4O2/c1-20(2,3)12-17(30)28-19-26-15-10-11-16(21(4,5)31)27-18(15)29(19)13-6-8-14(9-7-13)32-22(23,24)25;1-12(2)13(3)19(27)25-20-23-16-10-11-17(21(4,5)28)24-18(16)26(20)15-8-6-14(22)7-9-15;1-18(2,3)12-15(25)23-17-21-13-8-9-14(19(4,5)26)22-16(13)24(17)20(6)10-7-11-20/h6-11,31H,12H2,1-5H3,(H,26,28,30);6-13,28H,1-5H3,(H,23,25,27);8-9,26H,7,10-12H2,1-6H3,(H,21,23,25)/t;13-;/m.0./s1.

What are the key properties of (2S)-N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide?

(2S)-N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide has a molecular weight of 1193.40 g/mol, XLogP of 12.87, 14 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[3-(4-fluorophenyl)-5-(2-hydroxypropan-2-yl)imidazo[4,5-b]pyridin-2-yl]-2,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 159237204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).