(2R)-2-[[2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanamide

C27H25FN6O3 — CID 138961762

IUPAC(2R)-2-[[2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanamide
SMILESNC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C27H25FN6O3/c28-20-9-4-5-10-24(20)34-23-12-6-11-22(19(23)16-30-34)33-14-13-32(27(33)37)17-25(35)31-21(26(29)36)15-18-7-2-1-3-8-18/h1-12,16,21H,13-15,17H2,(H2,29,36)(H,31,35)/t21-/m1/s1
InChIKeySLSMVSZEKMAGBG-OAQYLSRUSA-N
MW500.53 g/mol
LogP2.62
Rot. Bonds8

About (2R)-2-[[2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanamide

(2R)-2-[[2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanamide (PubChem CID 138961762) has the molecular formula C27H25FN6O3 and a molecular weight of 500.53 g/mol. Its IUPAC name is (2R)-2-[[2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanamide
PubChem CID138961762
Molecular FormulaC27H25FN6O3
Molecular Weight500.53 g/mol
Exact Mass500.20
IUPAC Name(2R)-2-[[2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanamide
SMILESNC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O
InChIInChI=1S/C27H25FN6O3/c28-20-9-4-5-10-24(20)34-23-12-6-11-22(19(23)16-30-34)33-14-13-32(27(33)37)17-25(35)31-21(26(29)36)15-18-7-2-1-3-8-18/h1-12,16,21H,13-15,17H2,(H2,29,36)(H,31,35)/t21-/m1/s1
InChIKeySLSMVSZEKMAGBG-OAQYLSRUSA-N
XLogP2.62
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.53
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[[2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanamide (CID 138961762) is (2R)-2-[[2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[[2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[[2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanamide is NC(=O)[C@@H](Cc1ccccc1)NC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O.
What is the InChIKey of (2R)-2-[[2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanamide?
The InChIKey is SLSMVSZEKMAGBG-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H25FN6O3/c28-20-9-4-5-10-24(20)34-23-12-6-11-22(19(23)16-30-34)33-14-13-32(27(33)37)17-25(35)31-21(26(29)36)15-18-7-2-1-3-8-18/h1-12,16,21H,13-15,17H2,(H2,29,36)(H,31,35)/t21-/m1/s1.
What are the key properties of (2R)-2-[[2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanamide?
(2R)-2-[[2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanamide has a molecular weight of 500.53 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-[3-[1-(2-fluorophenyl)indazol-4-yl]-2-oxoimidazolidin-1-yl]acetyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 138961762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).