methyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate

C17H17FN4O2 — CID 90216583

IUPACmethyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate
SMILESCCCn1nc(Nc2cnccc2C(=O)OC)c2cc(F)ccc21
InChIInChI=1S/C17H17FN4O2/c1-3-8-22-15-5-4-11(18)9-13(15)16(21-22)20-14-10-19-7-6-12(14)17(23)24-2/h4-7,9-10H,3,8H2,1-2H3,(H,20,21)
InChIKeyZETDYGZUMZJPCG-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.51
Rot. Bonds5

About methyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate

methyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate (PubChem CID 90216583) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is methyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate
PubChem CID90216583
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Namemethyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate
SMILESCCCn1nc(Nc2cnccc2C(=O)OC)c2cc(F)ccc21
InChIInChI=1S/C17H17FN4O2/c1-3-8-22-15-5-4-11(18)9-13(15)16(21-22)20-14-10-19-7-6-12(14)17(23)24-2/h4-7,9-10H,3,8H2,1-2H3,(H,20,21)
InChIKeyZETDYGZUMZJPCG-UHFFFAOYSA-N
XLogP3.51
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate (CID 90216583) is methyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate is CCCn1nc(Nc2cnccc2C(=O)OC)c2cc(F)ccc21.
What is the InChIKey of methyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate?
The InChIKey is ZETDYGZUMZJPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-3-8-22-15-5-4-11(18)9-13(15)16(21-22)20-14-10-19-7-6-12(14)17(23)24-2/h4-7,9-10H,3,8H2,1-2H3,(H,20,21).
What are the key properties of methyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate?
methyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate has a molecular weight of 328.35 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-fluoro-1-propylindazol-3-yl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 90216583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).