4-[[(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid

C21H19FN4O5 — CID 146500466

IUPAC4-[[(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid
SMILESO=C(Nc1cccc2c1cnn2C(=O)O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H19FN4O5/c22-14-9-18(25(11-14)21(30)31-12-13-5-2-1-3-6-13)19(27)24-16-7-4-8-17-15(16)10-23-26(17)20(28)29/h1-8,10,14,18H,9,11-12H2,(H,24,27)(H,28,29)/t14-,18-/m1/s1
InChIKeyAWYJDKANZYBULO-RDTXWAMCSA-N
MW426.40 g/mol
LogP3.25
Rot. Bonds4

About 4-[[(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid

4-[[(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid (PubChem CID 146500466) has the molecular formula C21H19FN4O5 and a molecular weight of 426.40 g/mol. Its IUPAC name is 4-[[(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid
PubChem CID146500466
Molecular FormulaC21H19FN4O5
Molecular Weight426.40 g/mol
Exact Mass426.13
IUPAC Name4-[[(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid
SMILESO=C(Nc1cccc2c1cnn2C(=O)O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H19FN4O5/c22-14-9-18(25(11-14)21(30)31-12-13-5-2-1-3-6-13)19(27)24-16-7-4-8-17-15(16)10-23-26(17)20(28)29/h1-8,10,14,18H,9,11-12H2,(H,24,27)(H,28,29)/t14-,18-/m1/s1
InChIKeyAWYJDKANZYBULO-RDTXWAMCSA-N
XLogP3.25
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-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

benzyl (2S,4S)-2-[(2,3-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 1251151
(2R,5S)-5-fluoro-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 178194232
benzyl (2S,4S)-2-[(2-bromo-4,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 126004418
(2S,4R)-2-(benzylcarbamoyl)-4-fluoropyrrolidine-1-carboxylic acid
CID 126615821
benzyl (2R,4R)-4-hydroxy-2-[(4-iodo-2-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 1123819
benzyl (2S,4S)-2-[(5-chloro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 126011687
benzyl (3R)-3-[(2-methylphenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 1118332
benzyl (2S,4S)-4-amino-2-[[4-[(E)-2-[4-[[(2S,4S)-4-amino-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 71461850
benzyl (2S)-2-[(3-fluoro-2-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126004824
benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 18404291
benzyl (2S,4S)-4-hydroxy-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 1279403
benzyl (2S)-2-(chloromethyl)aziridine-1-carboxylate
CID 176637455

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid?
The IUPAC name of 4-[[(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid (CID 146500466) is 4-[[(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid.
What is the SMILES notation for 4-[[(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid?
The canonical SMILES for 4-[[(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid is O=C(Nc1cccc2c1cnn2C(=O)O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1.
What is the InChIKey of 4-[[(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid?
The InChIKey is AWYJDKANZYBULO-RDTXWAMCSA-N. The full InChI is InChI=1S/C21H19FN4O5/c22-14-9-18(25(11-14)21(30)31-12-13-5-2-1-3-6-13)19(27)24-16-7-4-8-17-15(16)10-23-26(17)20(28)29/h1-8,10,14,18H,9,11-12H2,(H,24,27)(H,28,29)/t14-,18-/m1/s1.
What are the key properties of 4-[[(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid?
4-[[(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid has a molecular weight of 426.40 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,4R)-4-fluoro-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid is sourced from PubChem (CID 146500466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).