1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]imidazolidin-2-one

C23H22FN5O3 — CID 118937704

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]imidazolidin-2-one
SMILESO=C1N(CC(=O)N2C[C@@H]3C[C@H]2CO3)CCN1c1cccc2c1cnn2-c1ccccc1F
InChIInChI=1S/C23H22FN5O3/c24-18-4-1-2-5-21(18)29-20-7-3-6-19(17(20)11-25-29)27-9-8-26(23(27)31)13-22(30)28-12-16-10-15(28)14-32-16/h1-7,11,15-16H,8-10,12-14H2/t15-,16-/m0/s1
InChIKeyZZJLRGNEJPVQTE-HOTGVXAUSA-N
MW435.46 g/mol
LogP2.41
Rot. Bonds4

About 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]imidazolidin-2-one

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]imidazolidin-2-one (PubChem CID 118937704) 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-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]imidazolidin-2-one
PubChem CID118937704
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]imidazolidin-2-one
SMILESO=C1N(CC(=O)N2C[C@@H]3C[C@H]2CO3)CCN1c1cccc2c1cnn2-c1ccccc1F
InChIInChI=1S/C23H22FN5O3/c24-18-4-1-2-5-21(18)29-20-7-3-6-19(17(20)11-25-29)27-9-8-26(23(27)31)13-22(30)28-12-16-10-15(28)14-32-16/h1-7,11,15-16H,8-10,12-14H2/t15-,16-/m0/s1
InChIKeyZZJLRGNEJPVQTE-HOTGVXAUSA-N
XLogP2.41
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 ≤ 52.41
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-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]imidazolidin-2-one (CID 118937704) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]imidazolidin-2-one is O=C1N(CC(=O)N2C[C@@H]3C[C@H]2CO3)CCN1c1cccc2c1cnn2-c1ccccc1F.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]imidazolidin-2-one?
The InChIKey is ZZJLRGNEJPVQTE-HOTGVXAUSA-N. The full InChI is InChI=1S/C23H22FN5O3/c24-18-4-1-2-5-21(18)29-20-7-3-6-19(17(20)11-25-29)27-9-8-26(23(27)31)13-22(30)28-12-16-10-15(28)14-32-16/h1-7,11,15-16H,8-10,12-14H2/t15-,16-/m0/s1.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]imidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]imidazolidin-2-one has a molecular weight of 435.46 g/mol, XLogP of 2.41, 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-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 118937704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).