1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one

C28H31FN6O — CID 18177244

About 1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 18177244) has the molecular formula C28H31FN6O and a molecular weight of 486.60 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
• PubChem CID: 18177244
• Molecular Formula: C28H31FN6O
• Molecular Weight: 486.60 g/mol
• Exact Mass: 486.25
• IUPAC Name: 1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one
• SMILES: CN1CC=CN1c1ccc2c(c1)c(C1=CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1
• InChI: InChI=1S/C28H31FN6O/c1-31-12-2-13-35(31)24-7-8-27-25(19-24)26(20-34(27)23-5-3-22(29)4-6-23)21-9-14-32(15-10-21)17-18-33-16-11-30-28(33)36/h2-9,13,19-20H,10-12,14-18H2,1H3,(H,30,36)
• InChIKey: UICJUIZXWDANSO-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 46.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.60
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?

The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one (CID 18177244) is 1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one.

What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?

The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one is CN1CC=CN1c1ccc2c(c1)c(C1=CCN(CCN3CCNC3=O)CC1)cn2-c1ccc(F)cc1.

What is the InChIKey of 1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?

The InChIKey is UICJUIZXWDANSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O/c1-31-12-2-13-35(31)24-7-8-27-25(19-24)26(20-34(27)23-5-3-22(29)4-6-23)21-9-14-32(15-10-21)17-18-33-16-11-30-28(33)36/h2-9,13,19-20H,10-12,14-18H2,1H3,(H,30,36).

What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one?

1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 486.60 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[1-(4-fluorophenyl)-5-(2-methyl-3H-pyrazol-1-yl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 18177244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).