5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C21H24F3N5O — CID 123568349

IUPAC5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3C4CN(C5COC5)CC43)n(C3CCC3)n2)cc1C(F)(F)F
InChIInChI=1S/C21H24F3N5O/c22-21(23,24)16-4-11(6-26-20(16)25)17-5-18(29(27-17)12-2-1-3-12)19-14-7-28(8-15(14)19)13-9-30-10-13/h4-6,12-15,19H,1-3,7-10H2,(H2,25,26)
InChIKeyYSEOPHFUQZANDE-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.32
Rot. Bonds4

About 5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 123568349) has the molecular formula C21H24F3N5O and a molecular weight of 419.45 g/mol. Its IUPAC name is 5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID123568349
Molecular FormulaC21H24F3N5O
Molecular Weight419.45 g/mol
Exact Mass419.19
IUPAC Name5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3C4CN(C5COC5)CC43)n(C3CCC3)n2)cc1C(F)(F)F
InChIInChI=1S/C21H24F3N5O/c22-21(23,24)16-4-11(6-26-20(16)25)17-5-18(29(27-17)12-2-1-3-12)19-14-7-28(8-15(14)19)13-9-30-10-13/h4-6,12-15,19H,1-3,7-10H2,(H2,25,26)
InChIKeyYSEOPHFUQZANDE-UHFFFAOYSA-N
XLogP3.32
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 123568349) is 5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2cc(C3C4CN(C5COC5)CC43)n(C3CCC3)n2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YSEOPHFUQZANDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O/c22-21(23,24)16-4-11(6-26-20(16)25)17-5-18(29(27-17)12-2-1-3-12)19-14-7-28(8-15(14)19)13-9-30-10-13/h4-6,12-15,19H,1-3,7-10H2,(H2,25,26).
What are the key properties of 5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 419.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-cyclobutyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 123568349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).