N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]-6-(3H-indol-5-yl)pyridazin-3-amine

C21H18FN5 — CID 161133862

IUPACN-[1-(3-fluoro-2-pyridinyl)cyclobutyl]-6-(3H-indol-5-yl)pyridazin-3-amine
SMILESFc1cccnc1C1(Nc2ccc(-c3ccc4c(c3)CC=N4)nn2)CCC1
InChIInChI=1S/C21H18FN5/c22-16-3-1-11-24-20(16)21(9-2-10-21)25-19-7-6-18(26-27-19)14-4-5-17-15(13-14)8-12-23-17/h1,3-7,11-13H,2,8-10H2,(H,25,27)
InChIKeyUMNRGSQUAZVIQF-UHFFFAOYSA-N
MW359.41 g/mol
LogP4.43
Rot. Bonds4

About N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]-6-(3H-indol-5-yl)pyridazin-3-amine

N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]-6-(3H-indol-5-yl)pyridazin-3-amine (PubChem CID 161133862) has the molecular formula C21H18FN5 and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]-6-(3H-indol-5-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-2-pyridinyl)cyclobutyl]-6-(3H-indol-5-yl)pyridazin-3-amine
PubChem CID161133862
Molecular FormulaC21H18FN5
Molecular Weight359.41 g/mol
Exact Mass359.15
IUPAC NameN-[1-(3-fluoro-2-pyridinyl)cyclobutyl]-6-(3H-indol-5-yl)pyridazin-3-amine
SMILESFc1cccnc1C1(Nc2ccc(-c3ccc4c(c3)CC=N4)nn2)CCC1
InChIInChI=1S/C21H18FN5/c22-16-3-1-11-24-20(16)21(9-2-10-21)25-19-7-6-18(26-27-19)14-4-5-17-15(13-14)8-12-23-17/h1,3-7,11-13H,2,8-10H2,(H,25,27)
InChIKeyUMNRGSQUAZVIQF-UHFFFAOYSA-N
XLogP4.43
TPSA63.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]-6-(3H-indol-5-yl)pyridazin-3-amine?
The IUPAC name of N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]-6-(3H-indol-5-yl)pyridazin-3-amine (CID 161133862) is N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]-6-(3H-indol-5-yl)pyridazin-3-amine.
What is the SMILES notation for N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]-6-(3H-indol-5-yl)pyridazin-3-amine?
The canonical SMILES for N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]-6-(3H-indol-5-yl)pyridazin-3-amine is Fc1cccnc1C1(Nc2ccc(-c3ccc4c(c3)CC=N4)nn2)CCC1.
What is the InChIKey of N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]-6-(3H-indol-5-yl)pyridazin-3-amine?
The InChIKey is UMNRGSQUAZVIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5/c22-16-3-1-11-24-20(16)21(9-2-10-21)25-19-7-6-18(26-27-19)14-4-5-17-15(13-14)8-12-23-17/h1,3-7,11-13H,2,8-10H2,(H,25,27).
What are the key properties of N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]-6-(3H-indol-5-yl)pyridazin-3-amine?
N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]-6-(3H-indol-5-yl)pyridazin-3-amine has a molecular weight of 359.41 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-2-pyridinyl)cyclobutyl]-6-(3H-indol-5-yl)pyridazin-3-amine is sourced from PubChem (CID 161133862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).