(4R)-4-[(1R)-1-[[6-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one

C26H32N6O3 — CID 147727589

About (4R)-4-[(1R)-1-[[6-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[[6-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 147727589) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[[6-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[(1R)-1-[[6-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one
• PubChem CID: 147727589
• Molecular Formula: C26H32N6O3
• Molecular Weight: 476.58 g/mol
• Exact Mass: 476.25
• IUPAC Name: (4R)-4-[(1R)-1-[[6-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one
• SMILES: Cc1cc(-c2cc3[nH]cnc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1N1CCN(C2COC2)CC1
• InChI: InChI=1S/C26H32N6O3/c1-16-9-18(3-4-23(16)32-7-5-31(6-8-32)20-13-34-14-20)21-11-22-25(29-15-28-22)26(30-21)35-17(2)19-10-24(33)27-12-19/h3-4,9,11,15,17,19-20H,5-8,10,12-14H2,1-2H3,(H,27,33)(H,28,29)/t17-,19-/m1/s1
• InChIKey: GXUGFJNMGLUTIY-IEBWSBKVSA-N
• XLogP: 2.36
• TPSA: 95.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.58
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[[6-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one?

The IUPAC name of (4R)-4-[(1R)-1-[[6-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one (CID 147727589) is (4R)-4-[(1R)-1-[[6-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one.

What is the SMILES notation for (4R)-4-[(1R)-1-[[6-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one?

The canonical SMILES for (4R)-4-[(1R)-1-[[6-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one is Cc1cc(-c2cc3[nH]cnc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1N1CCN(C2COC2)CC1.

What is the InChIKey of (4R)-4-[(1R)-1-[[6-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one?

The InChIKey is GXUGFJNMGLUTIY-IEBWSBKVSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-16-9-18(3-4-23(16)32-7-5-31(6-8-32)20-13-34-14-20)21-11-22-25(29-15-28-22)26(30-21)35-17(2)19-10-24(33)27-12-19/h3-4,9,11,15,17,19-20H,5-8,10,12-14H2,1-2H3,(H,27,33)(H,28,29)/t17-,19-/m1/s1.

What are the key properties of (4R)-4-[(1R)-1-[[6-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one?

(4R)-4-[(1R)-1-[[6-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 476.58 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(1R)-1-[[6-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 147727589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).