5-N-[6-amino-3-(1-aminoethenyl)-5-fluoro-2-pyridinyl]-1-butyl-3-N,3-N-dimethylindazole-3,5-diamine

C20H26FN7 — CID 134188035

IUPAC5-N-[6-amino-3-(1-aminoethenyl)-5-fluoro-2-pyridinyl]-1-butyl-3-N,3-N-dimethylindazole-3,5-diamine
SMILESC=C(N)c1cc(F)c(N)nc1Nc1ccc2c(c1)c(N(C)C)nn2CCCC
InChIInChI=1S/C20H26FN7/c1-5-6-9-28-17-8-7-13(10-15(17)20(26-28)27(3)4)24-19-14(12(2)22)11-16(21)18(23)25-19/h7-8,10-11H,2,5-6,9,22H2,1,3-4H3,(H3,23,24,25)
InChIKeyFKXCURVRROAGGX-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.69
Rot. Bonds7

About 5-N-[6-amino-3-(1-aminoethenyl)-5-fluoro-2-pyridinyl]-1-butyl-3-N,3-N-dimethylindazole-3,5-diamine

5-N-[6-amino-3-(1-aminoethenyl)-5-fluoro-2-pyridinyl]-1-butyl-3-N,3-N-dimethylindazole-3,5-diamine (PubChem CID 134188035) has the molecular formula C20H26FN7 and a molecular weight of 383.48 g/mol. Its IUPAC name is 5-N-[6-amino-3-(1-aminoethenyl)-5-fluoro-2-pyridinyl]-1-butyl-3-N,3-N-dimethylindazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[6-amino-3-(1-aminoethenyl)-5-fluoro-2-pyridinyl]-1-butyl-3-N,3-N-dimethylindazole-3,5-diamine
PubChem CID134188035
Molecular FormulaC20H26FN7
Molecular Weight383.48 g/mol
Exact Mass383.22
IUPAC Name5-N-[6-amino-3-(1-aminoethenyl)-5-fluoro-2-pyridinyl]-1-butyl-3-N,3-N-dimethylindazole-3,5-diamine
SMILESC=C(N)c1cc(F)c(N)nc1Nc1ccc2c(c1)c(N(C)C)nn2CCCC
InChIInChI=1S/C20H26FN7/c1-5-6-9-28-17-8-7-13(10-15(17)20(26-28)27(3)4)24-19-14(12(2)22)11-16(21)18(23)25-19/h7-8,10-11H,2,5-6,9,22H2,1,3-4H3,(H3,23,24,25)
InChIKeyFKXCURVRROAGGX-UHFFFAOYSA-N
XLogP3.69
TPSA98.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N-[6-amino-3-(1-aminoethenyl)-5-fluoro-2-pyridinyl]-1-butyl-3-N,3-N-dimethylindazole-3,5-diamine?
The IUPAC name of 5-N-[6-amino-3-(1-aminoethenyl)-5-fluoro-2-pyridinyl]-1-butyl-3-N,3-N-dimethylindazole-3,5-diamine (CID 134188035) is 5-N-[6-amino-3-(1-aminoethenyl)-5-fluoro-2-pyridinyl]-1-butyl-3-N,3-N-dimethylindazole-3,5-diamine.
What is the SMILES notation for 5-N-[6-amino-3-(1-aminoethenyl)-5-fluoro-2-pyridinyl]-1-butyl-3-N,3-N-dimethylindazole-3,5-diamine?
The canonical SMILES for 5-N-[6-amino-3-(1-aminoethenyl)-5-fluoro-2-pyridinyl]-1-butyl-3-N,3-N-dimethylindazole-3,5-diamine is C=C(N)c1cc(F)c(N)nc1Nc1ccc2c(c1)c(N(C)C)nn2CCCC.
What is the InChIKey of 5-N-[6-amino-3-(1-aminoethenyl)-5-fluoro-2-pyridinyl]-1-butyl-3-N,3-N-dimethylindazole-3,5-diamine?
The InChIKey is FKXCURVRROAGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN7/c1-5-6-9-28-17-8-7-13(10-15(17)20(26-28)27(3)4)24-19-14(12(2)22)11-16(21)18(23)25-19/h7-8,10-11H,2,5-6,9,22H2,1,3-4H3,(H3,23,24,25).
What are the key properties of 5-N-[6-amino-3-(1-aminoethenyl)-5-fluoro-2-pyridinyl]-1-butyl-3-N,3-N-dimethylindazole-3,5-diamine?
5-N-[6-amino-3-(1-aminoethenyl)-5-fluoro-2-pyridinyl]-1-butyl-3-N,3-N-dimethylindazole-3,5-diamine has a molecular weight of 383.48 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[6-amino-3-(1-aminoethenyl)-5-fluoro-2-pyridinyl]-1-butyl-3-N,3-N-dimethylindazole-3,5-diamine is sourced from PubChem (CID 134188035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).