(3R)-3-cyclopropyl-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;3-(fluoromethyl)-N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxypentanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-(1-methylcyclobutyl)acetamide

C61H71F5N12O7 — CID 162079912

About (3R)-3-cyclopropyl-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;3-(fluoromethyl)-N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxypentanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-(1-methylcyclobutyl)acetamide

(3R)-3-cyclopropyl-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;3-(fluoromethyl)-N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxypentanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-(1-methylcyclobutyl)acetamide (PubChem CID 162079912) has the molecular formula C61H71F5N12O7 and a molecular weight of 1179.31 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;3-(fluoromethyl)-N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxypentanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-(1-methylcyclobutyl)acetamide.

Molecular Properties

• Compound Name: (3R)-3-cyclopropyl-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;3-(fluoromethyl)-N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxypentanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-(1-methylcyclobutyl)acetamide
• PubChem CID: 162079912
• Molecular Formula: C61H71F5N12O7
• Molecular Weight: 1179.31 g/mol
• Exact Mass: 1178.55
• IUPAC Name: (3R)-3-cyclopropyl-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;3-(fluoromethyl)-N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxypentanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-(1-methylcyclobutyl)acetamide
• SMILES: CC1(CC(=O)Nc2nc3ccc(C(C)(C)O)nc3n2-c2ccc(OC(F)(F)F)cc2)CCC1.CCC(O)(CF)CC(=O)Nc1nc2ccc(C)nc2n1-c1ccc(F)cc1.Cc1ccc2nc(NC(=O)C[C@@](C)(O)C3CC3)n(C3(C)CCC3)c2n1
• InChI: InChI=1S/C23H25F3N4O3.C19H20F2N4O2.C19H26N4O2/c1-21(2,32)17-10-9-16-19(28-17)30(14-5-7-15(8-6-14)33-23(24,25)26)20(27-16)29-18(31)13-22(3)11-4-12-22;1-3-19(27,11-20)10-16(26)24-18-23-15-9-4-12(2)22-17(15)25(18)14-7-5-13(21)6-8-14;1-12-5-8-14-16(20-12)23(18(2)9-4-10-18)17(21-14)22-15(24)11-19(3,25)13-6-7-13/h5-10,32H,4,11-13H2,1-3H3,(H,27,29,31);4-9,27H,3,10-11H2,1-2H3,(H,23,24,26);5,8,13,25H,4,6-7,9-11H2,1-3H3,(H,21,22,24)/t;;19-/m..1/s1
• InChIKey: ZCEVZOUHXJAFKO-JUHKBDANSA-N
• XLogP: 11.50
• TPSA: 249.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1179.31
LogP ≤ 5	11.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;3-(fluoromethyl)-N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxypentanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-(1-methylcyclobutyl)acetamide?

The IUPAC name of (3R)-3-cyclopropyl-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;3-(fluoromethyl)-N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxypentanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-(1-methylcyclobutyl)acetamide (CID 162079912) is (3R)-3-cyclopropyl-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;3-(fluoromethyl)-N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxypentanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-(1-methylcyclobutyl)acetamide.

What is the SMILES notation for (3R)-3-cyclopropyl-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;3-(fluoromethyl)-N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxypentanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-(1-methylcyclobutyl)acetamide?

The canonical SMILES for (3R)-3-cyclopropyl-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;3-(fluoromethyl)-N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxypentanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-(1-methylcyclobutyl)acetamide is CC1(CC(=O)Nc2nc3ccc(C(C)(C)O)nc3n2-c2ccc(OC(F)(F)F)cc2)CCC1.CCC(O)(CF)CC(=O)Nc1nc2ccc(C)nc2n1-c1ccc(F)cc1.Cc1ccc2nc(NC(=O)C[C@@](C)(O)C3CC3)n(C3(C)CCC3)c2n1.

What is the InChIKey of (3R)-3-cyclopropyl-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;3-(fluoromethyl)-N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxypentanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-(1-methylcyclobutyl)acetamide?

The InChIKey is ZCEVZOUHXJAFKO-JUHKBDANSA-N. The full InChI is InChI=1S/C23H25F3N4O3.C19H20F2N4O2.C19H26N4O2/c1-21(2,32)17-10-9-16-19(28-17)30(14-5-7-15(8-6-14)33-23(24,25)26)20(27-16)29-18(31)13-22(3)11-4-12-22;1-3-19(27,11-20)10-16(26)24-18-23-15-9-4-12(2)22-17(15)25(18)14-7-5-13(21)6-8-14;1-12-5-8-14-16(20-12)23(18(2)9-4-10-18)17(21-14)22-15(24)11-19(3,25)13-6-7-13/h5-10,32H,4,11-13H2,1-3H3,(H,27,29,31);4-9,27H,3,10-11H2,1-2H3,(H,23,24,26);5,8,13,25H,4,6-7,9-11H2,1-3H3,(H,21,22,24)/t;;19-/m..1/s1.

What are the key properties of (3R)-3-cyclopropyl-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;3-(fluoromethyl)-N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxypentanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-(1-methylcyclobutyl)acetamide?

(3R)-3-cyclopropyl-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;3-(fluoromethyl)-N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxypentanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-(1-methylcyclobutyl)acetamide has a molecular weight of 1179.31 g/mol, XLogP of 11.50, 17 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-cyclopropyl-3-hydroxy-N-[5-methyl-3-(1-methylcyclobutyl)imidazo[4,5-b]pyridin-2-yl]butanamide;3-(fluoromethyl)-N-[3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3-hydroxypentanamide;N-[5-(2-hydroxypropan-2-yl)-3-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-2-yl]-2-(1-methylcyclobutyl)acetamide is sourced from PubChem (CID 162079912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).