3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid

C17H14FN3O3 — CID 75526368

IUPAC3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)c1cccc2cn[nH]c12)c1ccc(F)cc1
InChIInChI=1S/C17H14FN3O3/c18-12-6-4-10(5-7-12)14(8-15(22)23)20-17(24)13-3-1-2-11-9-19-21-16(11)13/h1-7,9,14H,8H2,(H,19,21)(H,20,24)(H,22,23)
InChIKeyVWUZBAISKANYAX-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.65
Rot. Bonds5

About 3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid

3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid (PubChem CID 75526368) has the molecular formula C17H14FN3O3 and a molecular weight of 327.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid
PubChem CID75526368
Molecular FormulaC17H14FN3O3
Molecular Weight327.31 g/mol
Exact Mass327.10
IUPAC Name3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid
SMILESO=C(O)CC(NC(=O)c1cccc2cn[nH]c12)c1ccc(F)cc1
InChIInChI=1S/C17H14FN3O3/c18-12-6-4-10(5-7-12)14(8-15(22)23)20-17(24)13-3-1-2-11-9-19-21-16(11)13/h1-7,9,14H,8H2,(H,19,21)(H,20,24)(H,22,23)
InChIKeyVWUZBAISKANYAX-UHFFFAOYSA-N
XLogP2.65
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenoxy)-1-phenylethyl]-1H-indazole-7-carboxamide
CID 55972822
3-[(2-chlorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 3806957
4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid
CID 75498144
2-(2-fluorophenyl)-2-(1H-indazole-7-carbonylamino)acetic acid
CID 75516569
(3R)-3-benzamido-3-(4-fluorophenyl)propanoic acid
CID 717556
3-[(4-fluorobenzoyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 4558174
(2S)-5-amino-2-(1H-indazole-7-carbonylamino)-5-oxopentanoic acid
CID 167788429
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 110885725
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 37314320
(3R)-3-(carbamoylamino)-3-(4-fluorophenyl)propanoic acid
CID 135070527
(3S)-3-(4-fluorophenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 783067
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 111424764

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid (CID 75526368) is 3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid is O=C(O)CC(NC(=O)c1cccc2cn[nH]c12)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid?
The InChIKey is VWUZBAISKANYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c18-12-6-4-10(5-7-12)14(8-15(22)23)20-17(24)13-3-1-2-11-9-19-21-16(11)13/h1-7,9,14H,8H2,(H,19,21)(H,20,24)(H,22,23).
What are the key properties of 3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid?
3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid has a molecular weight of 327.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-(1H-indazole-7-carbonylamino)propanoic acid is sourced from PubChem (CID 75526368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).