1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one

C23H22FN5O3 — CID 118937637

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC2(COC2)C1
InChIInChI=1S/C23H22FN5O3/c24-17-4-1-2-5-20(17)29-19-7-3-6-18(16(19)10-25-29)28-9-8-26(22(28)31)11-21(30)27-12-23(13-27)14-32-15-23/h1-7,10H,8-9,11-15H2
InChIKeyYIUSQJYHHMNSLJ-UHFFFAOYSA-N
MW435.46 g/mol
LogP2.27
Rot. Bonds4

About 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one (PubChem CID 118937637) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one
PubChem CID118937637
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one
SMILESO=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC2(COC2)C1
InChIInChI=1S/C23H22FN5O3/c24-17-4-1-2-5-20(17)29-19-7-3-6-18(16(19)10-25-29)28-9-8-26(22(28)31)11-21(30)27-12-23(13-27)14-32-15-23/h1-7,10H,8-9,11-15H2
InChIKeyYIUSQJYHHMNSLJ-UHFFFAOYSA-N
XLogP2.27
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one (CID 118937637) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one is O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CC2(COC2)C1.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one?
The InChIKey is YIUSQJYHHMNSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c24-17-4-1-2-5-20(17)29-19-7-3-6-18(16(19)10-25-29)28-9-8-26(22(28)31)11-21(30)27-12-23(13-27)14-32-15-23/h1-7,10H,8-9,11-15H2.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one has a molecular weight of 435.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 118937637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).