5-[5-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C16H15F6N5 — CID 90292690

IUPAC5-[5-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CNC[C@@H]34)n(CC(F)(F)F)n2)cc1C(F)(F)F
InChIInChI=1S/C16H15F6N5/c17-15(18,19)6-27-12(13-8-4-24-5-9(8)13)2-11(26-27)7-1-10(16(20,21)22)14(23)25-3-7/h1-3,8-9,13,24H,4-6H2,(H2,23,25)/t8-,9+,13?
InChIKeyBJQKLNSJYHMULA-PHXKMMTBSA-N
MW391.32 g/mol
LogP3.04
Rot. Bonds3

About 5-[5-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[5-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 90292690) has the molecular formula C16H15F6N5 and a molecular weight of 391.32 g/mol. Its IUPAC name is 5-[5-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID90292690
Molecular FormulaC16H15F6N5
Molecular Weight391.32 g/mol
Exact Mass391.12
IUPAC Name5-[5-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CNC[C@@H]34)n(CC(F)(F)F)n2)cc1C(F)(F)F
InChIInChI=1S/C16H15F6N5/c17-15(18,19)6-27-12(13-8-4-24-5-9(8)13)2-11(26-27)7-1-10(16(20,21)22)14(23)25-3-7/h1-3,8-9,13,24H,4-6H2,(H2,23,25)/t8-,9+,13?
InChIKeyBJQKLNSJYHMULA-PHXKMMTBSA-N
XLogP3.04
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[5-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[5-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 90292690) is 5-[5-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[5-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[5-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2cc(C3[C@H]4CNC[C@@H]34)n(CC(F)(F)F)n2)cc1C(F)(F)F.
What is the InChIKey of 5-[5-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BJQKLNSJYHMULA-PHXKMMTBSA-N. The full InChI is InChI=1S/C16H15F6N5/c17-15(18,19)6-27-12(13-8-4-24-5-9(8)13)2-11(26-27)7-1-10(16(20,21)22)14(23)25-3-7/h1-3,8-9,13,24H,4-6H2,(H2,23,25)/t8-,9+,13?.
What are the key properties of 5-[5-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[5-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 391.32 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 90292690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).