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

C13H13FN4O3 — CID 146500346

IUPAC4-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid
SMILESO=C(Nc1cccc2c1cnn2C(=O)O)[C@H]1C[C@@H](F)CN1
InChIInChI=1S/C13H13FN4O3/c14-7-4-10(15-5-7)12(19)17-9-2-1-3-11-8(9)6-16-18(11)13(20)21/h1-3,6-7,10,15H,4-5H2,(H,17,19)(H,20,21)/t7-,10-/m1/s1
InChIKeyHQWHKPSXTOFVGD-GMSGAONNSA-N
MW292.27 g/mol
LogP1.20
Rot. Bonds2

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

4-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid (PubChem CID 146500346) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is 4-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid
PubChem CID146500346
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC Name4-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid
SMILESO=C(Nc1cccc2c1cnn2C(=O)O)[C@H]1C[C@@H](F)CN1
InChIInChI=1S/C13H13FN4O3/c14-7-4-10(15-5-7)12(19)17-9-2-1-3-11-8(9)6-16-18(11)13(20)21/h1-3,6-7,10,15H,4-5H2,(H,17,19)(H,20,21)/t7-,10-/m1/s1
InChIKeyHQWHKPSXTOFVGD-GMSGAONNSA-N
XLogP1.20
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid?
The IUPAC name of 4-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid (CID 146500346) is 4-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid.
What is the SMILES notation for 4-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid?
The canonical SMILES for 4-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid is O=C(Nc1cccc2c1cnn2C(=O)O)[C@H]1C[C@@H](F)CN1.
What is the InChIKey of 4-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid?
The InChIKey is HQWHKPSXTOFVGD-GMSGAONNSA-N. The full InChI is InChI=1S/C13H13FN4O3/c14-7-4-10(15-5-7)12(19)17-9-2-1-3-11-8(9)6-16-18(11)13(20)21/h1-3,6-7,10,15H,4-5H2,(H,17,19)(H,20,21)/t7-,10-/m1/s1.
What are the key properties of 4-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid?
4-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid has a molecular weight of 292.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,4R)-4-fluoropyrrolidine-2-carbonyl]amino]indazole-1-carboxylic acid is sourced from PubChem (CID 146500346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).