3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid

C18H16FN3O3 — CID 91953036

IUPAC3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1cccc2cn[nH]c12)c1ccccc1F
InChIInChI=1S/C18H16FN3O3/c19-14-6-2-1-5-13(14)12(9-17(24)25)8-16(23)21-15-7-3-4-11-10-20-22-18(11)15/h1-7,10,12H,8-9H2,(H,20,22)(H,21,23)(H,24,25)
InChIKeyMWFKRSSLSLIPOE-UHFFFAOYSA-N
MW341.34 g/mol
LogP3.29
Rot. Bonds6

About 3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid

3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid (PubChem CID 91953036) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid
PubChem CID91953036
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC Name3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid
SMILESO=C(O)CC(CC(=O)Nc1cccc2cn[nH]c12)c1ccccc1F
InChIInChI=1S/C18H16FN3O3/c19-14-6-2-1-5-13(14)12(9-17(24)25)8-16(23)21-15-7-3-4-11-10-20-22-18(11)15/h1-7,10,12H,8-9H2,(H,20,22)(H,21,23)(H,24,25)
InChIKeyMWFKRSSLSLIPOE-UHFFFAOYSA-N
XLogP3.29
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(carbamoylamino)-3-(2-fluorophenyl)-N-(1H-indazol-7-yl)propanamide
CID 31817367
3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82129844
N-[1-(2-fluorophenyl)ethyl]-1H-indazol-7-amine
CID 43730981
2,3-difluoro-N-(1H-indazol-7-yl)benzamide
CID 62661069
N-(1H-indazol-7-yl)butanamide
CID 36575526
2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid
CID 75516569
4-hydroxy-N-(1H-indazol-7-yl)pentanamide
CID 79200987
N-(1H-indazol-7-yl)-2-methylpropanamide
CID 31817153
2-cyano-N-(1H-indazol-7-yl)acetamide
CID 110470078
3,4-difluoro-N-(1H-indazol-7-yl)benzamide
CID 110473054
(3S)-5-amino-3-(2-fluorophenyl)-5-oxopentanoic acid
CID 97013866
(2R)-2-amino-N-(1H-indazol-7-yl)-3-methylbutanamide
CID 79012424

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid?
The IUPAC name of 3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid (CID 91953036) is 3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid is O=C(O)CC(CC(=O)Nc1cccc2cn[nH]c12)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid?
The InChIKey is MWFKRSSLSLIPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c19-14-6-2-1-5-13(14)12(9-17(24)25)8-16(23)21-15-7-3-4-11-10-20-22-18(11)15/h1-7,10,12H,8-9H2,(H,20,22)(H,21,23)(H,24,25).
What are the key properties of 3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid?
3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid has a molecular weight of 341.34 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid is sourced from PubChem (CID 91953036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).