3-chloro-5-[1-(oxetan-3-yl)-5-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine

C18H19ClF3N5O — CID 123642445

IUPAC3-chloro-5-[1-(oxetan-3-yl)-5-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine
SMILESNc1ncc(-c2cc(C3C4CN(CC(F)(F)F)CC43)n(C3COC3)n2)cc1Cl
InChIInChI=1S/C18H19ClF3N5O/c19-13-1-9(3-24-17(13)23)14-2-15(27(25-14)10-6-28-7-10)16-11-4-26(5-12(11)16)8-18(20,21)22/h1-3,10-12,16H,4-8H2,(H2,23,24)
InChIKeyHFDDEJOYHQNTHS-UHFFFAOYSA-N
MW413.83 g/mol
LogP2.96
Rot. Bonds4

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

3-chloro-5-[1-(oxetan-3-yl)-5-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine (PubChem CID 123642445) has the molecular formula C18H19ClF3N5O and a molecular weight of 413.83 g/mol. Its IUPAC name is 3-chloro-5-[1-(oxetan-3-yl)-5-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[1-(oxetan-3-yl)-5-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine
PubChem CID123642445
Molecular FormulaC18H19ClF3N5O
Molecular Weight413.83 g/mol
Exact Mass413.12
IUPAC Name3-chloro-5-[1-(oxetan-3-yl)-5-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine
SMILESNc1ncc(-c2cc(C3C4CN(CC(F)(F)F)CC43)n(C3COC3)n2)cc1Cl
InChIInChI=1S/C18H19ClF3N5O/c19-13-1-9(3-24-17(13)23)14-2-15(27(25-14)10-6-28-7-10)16-11-4-26(5-12(11)16)8-18(20,21)22/h1-3,10-12,16H,4-8H2,(H2,23,24)
InChIKeyHFDDEJOYHQNTHS-UHFFFAOYSA-N
XLogP2.96
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.83
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

example 152 [WO2014111496]
CID 90292687
5-{5-[1-(Oxetan-3-Yl)piperidin-4-Yl]-1-(Propan-2-Yl)-1h-Pyrazol-3-Yl}-3-(Trifluoromethyl)pyridin-2-Amine
CID 78318990
5-{5-[(1r,5s,6r)-3-(Oxetan-3-Yl)-3-Azabicyclo[3.1.0]hexan-6-Yl]-1-(Propan-2-Yl)-1h-Pyrazol-3-Yl}-3-(Trifluoromethyl)pyridin-2-Amine
CID 90292702
5-[5-[(1S,5R)-3-(2,2-difluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 90292674
3-Chloro-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 78318992
3-chloro-5-[5-[1-(oxetan-3-yl)piperidin-4-yl]-1-propan-2-ylpyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 90286662
1-[(1R,5S)-6-[5-[6-amino-5-(trifluoromethyl)pyridin-3-yl]-2-propan-2-ylpyrazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 90292697
5-[5-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 90292698
3-(difluoromethyl)-5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 90292714
5-[1-(cyclobutylmethyl)-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 90292718
5-[5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 118620143
5-[1-[(1-methylcyclopropyl)methyl]-5-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 90292688

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[1-(oxetan-3-yl)-5-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-[1-(oxetan-3-yl)-5-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine (CID 123642445) is 3-chloro-5-[1-(oxetan-3-yl)-5-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-[1-(oxetan-3-yl)-5-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-[1-(oxetan-3-yl)-5-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine is Nc1ncc(-c2cc(C3C4CN(CC(F)(F)F)CC43)n(C3COC3)n2)cc1Cl.
What is the InChIKey of 3-chloro-5-[1-(oxetan-3-yl)-5-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine?
The InChIKey is HFDDEJOYHQNTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N5O/c19-13-1-9(3-24-17(13)23)14-2-15(27(25-14)10-6-28-7-10)16-11-4-26(5-12(11)16)8-18(20,21)22/h1-3,10-12,16H,4-8H2,(H2,23,24).
What are the key properties of 3-chloro-5-[1-(oxetan-3-yl)-5-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine?
3-chloro-5-[1-(oxetan-3-yl)-5-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine has a molecular weight of 413.83 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[1-(oxetan-3-yl)-5-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 123642445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).