1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea

C43H54N8O6 — CID 157408570

About 1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea

1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea (PubChem CID 157408570) has the molecular formula C43H54N8O6 and a molecular weight of 778.96 g/mol. Its IUPAC name is 1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea.

Molecular Properties

• Compound Name: 1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea
• PubChem CID: 157408570
• Molecular Formula: C43H54N8O6
• Molecular Weight: 778.96 g/mol
• Exact Mass: 778.42
• IUPAC Name: 1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea
• SMILES: Cc1c(C)c(Oc2ccnc3c2CC(=O)N3)c(C)c(C)c1NC(=O)NC(C)C.Cc1c(C)c(Oc2ccnc3c2CC(=O)N3C)c(C)c(C)c1NC(=O)NC(C)C
• InChI: InChI=1S/C22H28N4O3.C21H26N4O3/c1-11(2)24-22(28)25-19-12(3)14(5)20(15(6)13(19)4)29-17-8-9-23-21-16(17)10-18(27)26(21)7;1-10(2)23-21(27)25-18-11(3)13(5)19(14(6)12(18)4)28-16-7-8-22-20-15(16)9-17(26)24-20/h8-9,11H,10H2,1-7H3,(H2,24,25,28);7-8,10H,9H2,1-6H3,(H,22,24,26)(H2,23,25,27)
• InChIKey: BNZYOJXVMBRLCD-UHFFFAOYSA-N
• XLogP: 8.29
• TPSA: 175.91 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	778.96
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea?

The IUPAC name of 1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea (CID 157408570) is 1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea.

What is the SMILES notation for 1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea?

The canonical SMILES for 1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea is Cc1c(C)c(Oc2ccnc3c2CC(=O)N3)c(C)c(C)c1NC(=O)NC(C)C.Cc1c(C)c(Oc2ccnc3c2CC(=O)N3C)c(C)c(C)c1NC(=O)NC(C)C.

What is the InChIKey of 1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea?

The InChIKey is BNZYOJXVMBRLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3.C21H26N4O3/c1-11(2)24-22(28)25-19-12(3)14(5)20(15(6)13(19)4)29-17-8-9-23-21-16(17)10-18(27)26(21)7;1-10(2)23-21(27)25-18-11(3)13(5)19(14(6)12(18)4)28-16-7-8-22-20-15(16)9-17(26)24-20/h8-9,11H,10H2,1-7H3,(H2,24,25,28);7-8,10H,9H2,1-6H3,(H,22,24,26)(H2,23,25,27).

What are the key properties of 1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea?

1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea has a molecular weight of 778.96 g/mol, XLogP of 8.29, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(1-methyl-2-oxo-3H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea;1-propan-2-yl-3-[2,3,5,6-tetramethyl-4-[(2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]urea is sourced from PubChem (CID 157408570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).