1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one

C30H26F6N6O2 — CID 87351480

About 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one

1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one (PubChem CID 87351480) has the molecular formula C30H26F6N6O2 and a molecular weight of 616.57 g/mol. Its IUPAC name is 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one
• PubChem CID: 87351480
• Molecular Formula: C30H26F6N6O2
• Molecular Weight: 616.57 g/mol
• Exact Mass: 616.20
• IUPAC Name: 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one
• SMILES: COc1ccc(CN2CCN(c3ccn(-c4cc(C)nc5c4CCN5c4ccc(C(F)(F)F)cc4C(F)(F)F)n3)C2=O)cc1
• InChI: InChI=1S/C30H26F6N6O2/c1-18-15-25(22-9-11-40(27(22)37-18)24-8-5-20(29(31,32)33)16-23(24)30(34,35)36)42-12-10-26(38-42)41-14-13-39(28(41)43)17-19-3-6-21(44-2)7-4-19/h3-8,10,12,15-16H,9,11,13-14,17H2,1-2H3
• InChIKey: UOZAIUXCIQTVCE-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 66.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	616.57
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one?

The IUPAC name of 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one (CID 87351480) is 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one.

What is the SMILES notation for 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one?

The canonical SMILES for 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one is COc1ccc(CN2CCN(c3ccn(-c4cc(C)nc5c4CCN5c4ccc(C(F)(F)F)cc4C(F)(F)F)n3)C2=O)cc1.

What is the InChIKey of 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one?

The InChIKey is UOZAIUXCIQTVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F6N6O2/c1-18-15-25(22-9-11-40(27(22)37-18)24-8-5-20(29(31,32)33)16-23(24)30(34,35)36)42-12-10-26(38-42)41-14-13-39(28(41)43)17-19-3-6-21(44-2)7-4-19/h3-8,10,12,15-16H,9,11,13-14,17H2,1-2H3.

What are the key properties of 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one?

1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one has a molecular weight of 616.57 g/mol, XLogP of 6.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-[2,4-bis(trifluoromethyl)phenyl]-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrazol-3-yl]-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 87351480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).