5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-N-methyl-1H-indazol-3-amine;propane

C18H24FN5 — CID 145055993

IUPAC5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-N-methyl-1H-indazol-3-amine;propane
SMILESCCC.CNc1n[nH]c2ccc(-c3cnc(F)c(N(C)C)c3)cc12
InChIInChI=1S/C15H16FN5.C3H8/c1-17-15-11-6-9(4-5-12(11)19-20-15)10-7-13(21(2)3)14(16)18-8-10;1-3-2/h4-8H,1-3H3,(H2,17,19,20);3H2,1-2H3
InChIKeyBNOJZEWNAXBFQB-UHFFFAOYSA-N
MW329.42 g/mol
LogP4.29
Rot. Bonds3

About 5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-N-methyl-1H-indazol-3-amine;propane

5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-N-methyl-1H-indazol-3-amine;propane (PubChem CID 145055993) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is 5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-N-methyl-1H-indazol-3-amine;propane.

Molecular Properties

Compound Name5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-N-methyl-1H-indazol-3-amine;propane
PubChem CID145055993
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-N-methyl-1H-indazol-3-amine;propane
SMILESCCC.CNc1n[nH]c2ccc(-c3cnc(F)c(N(C)C)c3)cc12
InChIInChI=1S/C15H16FN5.C3H8/c1-17-15-11-6-9(4-5-12(11)19-20-15)10-7-13(21(2)3)14(16)18-8-10;1-3-2/h4-8H,1-3H3,(H2,17,19,20);3H2,1-2H3
InChIKeyBNOJZEWNAXBFQB-UHFFFAOYSA-N
XLogP4.29
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-N-methyl-1H-indazol-3-amine;propane?
The IUPAC name of 5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-N-methyl-1H-indazol-3-amine;propane (CID 145055993) is 5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-N-methyl-1H-indazol-3-amine;propane.
What is the SMILES notation for 5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-N-methyl-1H-indazol-3-amine;propane?
The canonical SMILES for 5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-N-methyl-1H-indazol-3-amine;propane is CCC.CNc1n[nH]c2ccc(-c3cnc(F)c(N(C)C)c3)cc12.
What is the InChIKey of 5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-N-methyl-1H-indazol-3-amine;propane?
The InChIKey is BNOJZEWNAXBFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5.C3H8/c1-17-15-11-6-9(4-5-12(11)19-20-15)10-7-13(21(2)3)14(16)18-8-10;1-3-2/h4-8H,1-3H3,(H2,17,19,20);3H2,1-2H3.
What are the key properties of 5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-N-methyl-1H-indazol-3-amine;propane?
5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-N-methyl-1H-indazol-3-amine;propane has a molecular weight of 329.42 g/mol, XLogP of 4.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(dimethylamino)-6-fluoro-3-pyridinyl]-N-methyl-1H-indazol-3-amine;propane is sourced from PubChem (CID 145055993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).