1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one

C23H24FN5O2 — CID 118937893

IUPAC1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
SMILESC[C@@H]1CCCN1C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C23H24FN5O2/c1-16-6-5-11-27(16)22(30)15-26-12-13-28(23(26)31)19-9-4-10-20-17(19)14-25-29(20)21-8-3-2-7-18(21)24/h2-4,7-10,14,16H,5-6,11-13,15H2,1H3/t16-/m1/s1
InChIKeyYLELLJBJHGZZKH-MRXNPFEDSA-N
MW421.48 g/mol
LogP3.42
Rot. Bonds4

About 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one

1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one (PubChem CID 118937893) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
PubChem CID118937893
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one
SMILESC[C@@H]1CCCN1C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C23H24FN5O2/c1-16-6-5-11-27(16)22(30)15-26-12-13-28(23(26)31)19-9-4-10-20-17(19)14-25-29(20)21-8-3-2-7-18(21)24/h2-4,7-10,14,16H,5-6,11-13,15H2,1H3/t16-/m1/s1
InChIKeyYLELLJBJHGZZKH-MRXNPFEDSA-N
XLogP3.42
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The IUPAC name of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one (CID 118937893) is 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one is C[C@@H]1CCCN1C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.
What is the InChIKey of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
The InChIKey is YLELLJBJHGZZKH-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-16-6-5-11-27(16)22(30)15-26-12-13-28(23(26)31)19-9-4-10-20-17(19)14-25-29(20)21-8-3-2-7-18(21)24/h2-4,7-10,14,16H,5-6,11-13,15H2,1H3/t16-/m1/s1.
What are the key properties of 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one?
1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one has a molecular weight of 421.48 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)indazol-4-yl]-3-[2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]imidazolidin-2-one is sourced from PubChem (CID 118937893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).