methyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate

C15H13FN4O2 — CID 167870458

IUPACmethyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2c[nH]c3ccc(F)cc23)nn1
InChIInChI=1S/C15H13FN4O2/c1-22-15(21)13-4-5-14(20-19-13)18-8-9-7-17-12-3-2-10(16)6-11(9)12/h2-7,17H,8H2,1H3,(H,18,20)
InChIKeySSTPPROPMPVGKC-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.50
Rot. Bonds4

About methyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate

methyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate (PubChem CID 167870458) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is methyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate
PubChem CID167870458
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Namemethyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2c[nH]c3ccc(F)cc23)nn1
InChIInChI=1S/C15H13FN4O2/c1-22-15(21)13-4-5-14(20-19-13)18-8-9-7-17-12-3-2-10(16)6-11(9)12/h2-7,17H,8H2,1H3,(H,18,20)
InChIKeySSTPPROPMPVGKC-UHFFFAOYSA-N
XLogP2.50
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-fluoro-1H-indole-3-carboxylate
CID 34176452
2-(5-fluoro-1H-indol-3-yl)-N-(2-methoxyethyl)acetamide
CID 110700233
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
2-(5-fluoro-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110700223
2-(5-fluoro-1H-indol-3-yl)-N-propylacetamide
CID 110700222
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
methyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate
CID 95257213
[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate
CID 151199307
tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
CID 67394852
2-[[2-(5-fluoro-1H-indol-3-yl)acetyl]amino]benzamide
CID 110700282
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
N-(2-aminoethyl)-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 110833777

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate (CID 167870458) is methyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate is COC(=O)c1ccc(NCc2c[nH]c3ccc(F)cc23)nn1.
What is the InChIKey of methyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate?
The InChIKey is SSTPPROPMPVGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-22-15(21)13-4-5-14(20-19-13)18-8-9-7-17-12-3-2-10(16)6-11(9)12/h2-7,17H,8H2,1H3,(H,18,20).
What are the key properties of methyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate?
methyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate has a molecular weight of 300.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(5-fluoro-1H-indol-3-yl)methylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 167870458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).