4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid

C25H19FN6O3 — CID 150397331

IUPAC4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCOc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Nc1ccncc1C(=O)O
InChIInChI=1S/C25H19FN6O3/c1-35-21-13-28-24(30-23(21)29-19-10-11-27-12-17(19)25(33)34)22-16-7-3-5-9-20(16)32(31-22)14-15-6-2-4-8-18(15)26/h2-13H,14H2,1H3,(H,33,34)(H,27,28,29,30)
InChIKeyHDAGLQAKUJGUMT-UHFFFAOYSA-N
MW470.46 g/mol
LogP4.53
Rot. Bonds7

About 4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid

4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid (PubChem CID 150397331) has the molecular formula C25H19FN6O3 and a molecular weight of 470.46 g/mol. Its IUPAC name is 4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
PubChem CID150397331
Molecular FormulaC25H19FN6O3
Molecular Weight470.46 g/mol
Exact Mass470.15
IUPAC Name4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
SMILESCOc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Nc1ccncc1C(=O)O
InChIInChI=1S/C25H19FN6O3/c1-35-21-13-28-24(30-23(21)29-19-10-11-27-12-17(19)25(33)34)22-16-7-3-5-9-20(16)32(31-22)14-15-6-2-4-8-18(15)26/h2-13H,14H2,1H3,(H,33,34)(H,27,28,29,30)
InChIKeyHDAGLQAKUJGUMT-UHFFFAOYSA-N
XLogP4.53
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid (CID 150397331) is 4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid is COc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Nc1ccncc1C(=O)O.
What is the InChIKey of 4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is HDAGLQAKUJGUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN6O3/c1-35-21-13-28-24(30-23(21)29-19-10-11-27-12-17(19)25(33)34)22-16-7-3-5-9-20(16)32(31-22)14-15-6-2-4-8-18(15)26/h2-13H,14H2,1H3,(H,33,34)(H,27,28,29,30).
What are the key properties of 4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid?
4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 470.46 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 150397331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).