3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]amino]pyridine-4-carboxylic acid

C17H16FN5O2 — CID 90216766

IUPAC3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Nc1nn([C@@H]2CCNC2)c2ccc(F)cc12
InChIInChI=1S/C17H16FN5O2/c18-10-1-2-15-13(7-10)16(22-23(15)11-3-5-19-8-11)21-14-9-20-6-4-12(14)17(24)25/h1-2,4,6-7,9,11,19H,3,5,8H2,(H,21,22)(H,24,25)/t11-/m1/s1
InChIKeyNVOWKWGHEKGZRF-LLVKDONJSA-N
MW341.35 g/mol
LogP2.55
Rot. Bonds4

About 3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]amino]pyridine-4-carboxylic acid

3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]amino]pyridine-4-carboxylic acid (PubChem CID 90216766) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]amino]pyridine-4-carboxylic acid
PubChem CID90216766
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]amino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1Nc1nn([C@@H]2CCNC2)c2ccc(F)cc12
InChIInChI=1S/C17H16FN5O2/c18-10-1-2-15-13(7-10)16(22-23(15)11-3-5-19-8-11)21-14-9-20-6-4-12(14)17(24)25/h1-2,4,6-7,9,11,19H,3,5,8H2,(H,21,22)(H,24,25)/t11-/m1/s1
InChIKeyNVOWKWGHEKGZRF-LLVKDONJSA-N
XLogP2.55
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]amino]pyridine-4-carboxylic acid (CID 90216766) is 3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]amino]pyridine-4-carboxylic acid is O=C(O)c1ccncc1Nc1nn([C@@H]2CCNC2)c2ccc(F)cc12.
What is the InChIKey of 3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]amino]pyridine-4-carboxylic acid?
The InChIKey is NVOWKWGHEKGZRF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16FN5O2/c18-10-1-2-15-13(7-10)16(22-23(15)11-3-5-19-8-11)21-14-9-20-6-4-12(14)17(24)25/h1-2,4,6-7,9,11,19H,3,5,8H2,(H,21,22)(H,24,25)/t11-/m1/s1.
What are the key properties of 3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]amino]pyridine-4-carboxylic acid?
3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]amino]pyridine-4-carboxylic acid has a molecular weight of 341.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-1-[(3R)-pyrrolidin-3-yl]indazol-3-yl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 90216766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).