1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C18H17FN4O3 — CID 56904889

IUPAC1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C18H17FN4O3/c19-13-2-3-14-12(10-13)11-15(21-14)16(24)22-8-4-18(5-9-22,17(25)26)23-7-1-6-20-23/h1-3,6-7,10-11,21H,4-5,8-9H2,(H,25,26)
InChIKeyNWTLXMODWJESEM-UHFFFAOYSA-N
MW356.36 g/mol
LogP2.22
Rot. Bonds3

About 1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56904889) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56904889
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(c1cc2cc(F)ccc2[nH]1)N1CCC(C(=O)O)(n2cccn2)CC1
InChIInChI=1S/C18H17FN4O3/c19-13-2-3-14-12(10-13)11-15(21-14)16(24)22-8-4-18(5-9-22,17(25)26)23-7-1-6-20-23/h1-3,6-7,10-11,21H,4-5,8-9H2,(H,25,26)
InChIKeyNWTLXMODWJESEM-UHFFFAOYSA-N
XLogP2.22
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581642
1-[(6-fluoroquinolin-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56887637
[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 56886344
(5-fluoro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034137
1-(1-benzofuran-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56886314
[3-(difluoromethoxy)phenyl]-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 25485334
[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(5-fluoro-1H-indol-2-yl)methanone
CID 138000726
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
(2,2-difluoro-1,3-benzodioxol-5-yl)-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 170157285
(2,6-dimethylmorpholin-4-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 4905053

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56904889) is 1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is O=C(c1cc2cc(F)ccc2[nH]1)N1CCC(C(=O)O)(n2cccn2)CC1.
What is the InChIKey of 1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is NWTLXMODWJESEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c19-13-2-3-14-12(10-13)11-15(21-14)16(24)22-8-4-18(5-9-22,17(25)26)23-7-1-6-20-23/h1-3,6-7,10-11,21H,4-5,8-9H2,(H,25,26).
What are the key properties of 1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 356.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1H-indole-2-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56904889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).