4-amino-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butanamide

C26H27FN4O2 — CID 66812599

IUPAC4-amino-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butanamide
SMILESC[C@H](NC(=O)CCCN)[C@@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C26H27FN4O2/c1-18(30-25(32)8-5-15-28)26(19-6-3-2-4-7-19)33-23-13-14-24-20(16-23)17-29-31(24)22-11-9-21(27)10-12-22/h2-4,6-7,9-14,16-18,26H,5,8,15,28H2,1H3,(H,30,32)/t18-,26+/m0/s1
InChIKeyCCIYEHNCOSYPMS-HFJWLAOPSA-N
MW446.53 g/mol
LogP4.53
Rot. Bonds9

About 4-amino-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butanamide

4-amino-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butanamide (PubChem CID 66812599) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is 4-amino-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butanamide
PubChem CID66812599
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC Name4-amino-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butanamide
SMILESC[C@H](NC(=O)CCCN)[C@@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1
InChIInChI=1S/C26H27FN4O2/c1-18(30-25(32)8-5-15-28)26(19-6-3-2-4-7-19)33-23-13-14-24-20(16-23)17-29-31(24)22-11-9-21(27)10-12-22/h2-4,6-7,9-14,16-18,26H,5,8,15,28H2,1H3,(H,30,32)/t18-,26+/m0/s1
InChIKeyCCIYEHNCOSYPMS-HFJWLAOPSA-N
XLogP4.53
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butanamide?
The IUPAC name of 4-amino-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butanamide (CID 66812599) is 4-amino-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butanamide.
What is the SMILES notation for 4-amino-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butanamide?
The canonical SMILES for 4-amino-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butanamide is C[C@H](NC(=O)CCCN)[C@@H](Oc1ccc2c(cnn2-c2ccc(F)cc2)c1)c1ccccc1.
What is the InChIKey of 4-amino-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butanamide?
The InChIKey is CCIYEHNCOSYPMS-HFJWLAOPSA-N. The full InChI is InChI=1S/C26H27FN4O2/c1-18(30-25(32)8-5-15-28)26(19-6-3-2-4-7-19)33-23-13-14-24-20(16-23)17-29-31(24)22-11-9-21(27)10-12-22/h2-4,6-7,9-14,16-18,26H,5,8,15,28H2,1H3,(H,30,32)/t18-,26+/m0/s1.
What are the key properties of 4-amino-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butanamide?
4-amino-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butanamide has a molecular weight of 446.53 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butanamide is sourced from PubChem (CID 66812599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).