1-[2-[4-[1-(4-fluorophenyl)-5-(1-methylpyrazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

C28H31FN6O — CID 11812916

IUPAC1-[2-[4-[1-(4-fluorophenyl)-5-(1-methylpyrazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)cn1
InChIInChI=1S/C28H31FN6O/c1-32-18-22(17-31-32)21-2-7-27-25(16-21)26(19-35(27)24-5-3-23(29)4-6-24)20-8-11-33(12-9-20)14-15-34-13-10-30-28(34)36/h2-7,16-20H,8-15H2,1H3,(H,30,36)
InChIKeyBJICDRUQIDTHQQ-UHFFFAOYSA-N
MW486.60 g/mol
LogP4.37
Rot. Bonds6

About 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methylpyrazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one

1-[2-[4-[1-(4-fluorophenyl)-5-(1-methylpyrazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (PubChem CID 11812916) 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-(1-methylpyrazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[1-(4-fluorophenyl)-5-(1-methylpyrazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
PubChem CID11812916
Molecular FormulaC28H31FN6O
Molecular Weight486.60 g/mol
Exact Mass486.25
IUPAC Name1-[2-[4-[1-(4-fluorophenyl)-5-(1-methylpyrazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one
SMILESCn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)cn1
InChIInChI=1S/C28H31FN6O/c1-32-18-22(17-31-32)21-2-7-27-25(16-21)26(19-35(27)24-5-3-23(29)4-6-24)20-8-11-33(12-9-20)14-15-34-13-10-30-28(34)36/h2-7,16-20H,8-15H2,1H3,(H,30,36)
InChIKeyBJICDRUQIDTHQQ-UHFFFAOYSA-N
XLogP4.37
TPSA58.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methylpyrazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methylpyrazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one (CID 11812916) is 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methylpyrazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methylpyrazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methylpyrazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is Cn1cc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)cn1.
What is the InChIKey of 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methylpyrazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is BJICDRUQIDTHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O/c1-32-18-22(17-31-32)21-2-7-27-25(16-21)26(19-35(27)24-5-3-23(29)4-6-24)20-8-11-33(12-9-20)14-15-34-13-10-30-28(34)36/h2-7,16-20H,8-15H2,1H3,(H,30,36).
What are the key properties of 1-[2-[4-[1-(4-fluorophenyl)-5-(1-methylpyrazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one?
1-[2-[4-[1-(4-fluorophenyl)-5-(1-methylpyrazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 486.60 g/mol, XLogP of 4.37, 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-(1-methylpyrazol-4-yl)indol-3-yl]piperidin-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 11812916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).