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

C18H21ClF3N5O — CID 123199855

IUPAC3-chloro-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine
SMILESCOCCN1CC2C(C1)C2c1cc(-c2cnc(N)c(Cl)c2)nn1CC(F)(F)F
InChIInChI=1S/C18H21ClF3N5O/c1-28-3-2-26-7-11-12(8-26)16(11)15-5-14(25-27(15)9-18(20,21)22)10-4-13(19)17(23)24-6-10/h4-6,11-12,16H,2-3,7-9H2,1H3,(H2,23,24)
InChIKeyUZWUOJDFAGPFKB-UHFFFAOYSA-N
MW415.85 g/mol
LogP3.03
Rot. Bonds6

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

3-chloro-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine (PubChem CID 123199855) has the molecular formula C18H21ClF3N5O and a molecular weight of 415.85 g/mol. Its IUPAC name is 3-chloro-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine
PubChem CID123199855
Molecular FormulaC18H21ClF3N5O
Molecular Weight415.85 g/mol
Exact Mass415.14
IUPAC Name3-chloro-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine
SMILESCOCCN1CC2C(C1)C2c1cc(-c2cnc(N)c(Cl)c2)nn1CC(F)(F)F
InChIInChI=1S/C18H21ClF3N5O/c1-28-3-2-26-7-11-12(8-26)16(11)15-5-14(25-27(15)9-18(20,21)22)10-4-13(19)17(23)24-6-10/h4-6,11-12,16H,2-3,7-9H2,1H3,(H2,23,24)
InChIKeyUZWUOJDFAGPFKB-UHFFFAOYSA-N
XLogP3.03
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.85
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-chloro-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)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
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
[3-(3-Chloro-5-trifluoromethyl-pyridin-2-yl)-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl]-bis-(2-methoxy-ethyl)-amine
CID 44392687

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-chloro-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine (CID 123199855) is 3-chloro-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-chloro-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine is COCCN1CC2C(C1)C2c1cc(-c2cnc(N)c(Cl)c2)nn1CC(F)(F)F.
What is the InChIKey of 3-chloro-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine?
The InChIKey is UZWUOJDFAGPFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF3N5O/c1-28-3-2-26-7-11-12(8-26)16(11)15-5-14(25-27(15)9-18(20,21)22)10-4-13(19)17(23)24-6-10/h4-6,11-12,16H,2-3,7-9H2,1H3,(H2,23,24).
What are the key properties of 3-chloro-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine?
3-chloro-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine has a molecular weight of 415.85 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 123199855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).