5-[5-[(1R,3S,5R,6R)-3-imidazol-1-yl-1-tricyclo[3.1.0.02,6]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C21H21F3N6 — CID 162595770

IUPAC5-[5-[(1R,3S,5R,6R)-3-imidazol-1-yl-1-tricyclo[3.1.0.02,6]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@]12C3C(n4ccnc4)C[C@@H]1[C@H]32
InChIInChI=1S/C21H21F3N6/c1-10(2)30-16(20-12-6-15(18(20)17(12)20)29-4-3-26-9-29)7-14(28-30)11-5-13(21(22,23)24)19(25)27-8-11/h3-5,7-10,12,15,17-18H,6H2,1-2H3,(H2,25,27)/t12-,15?,17-,18?,20-/m1/s1
InChIKeyKHZDMOHZMXAMNV-PBMOWDPYSA-N
MW414.44 g/mol
LogP4.08
Rot. Bonds4

About 5-[5-[(1R,3S,5R,6R)-3-imidazol-1-yl-1-tricyclo[3.1.0.02,6]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[5-[(1R,3S,5R,6R)-3-imidazol-1-yl-1-tricyclo[3.1.0.02,6]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 162595770) has the molecular formula C21H21F3N6 and a molecular weight of 414.44 g/mol. Its IUPAC name is 5-[5-[(1R,3S,5R,6R)-3-imidazol-1-yl-1-tricyclo[3.1.0.02,6]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[(1R,3S,5R,6R)-3-imidazol-1-yl-1-tricyclo[3.1.0.02,6]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID162595770
Molecular FormulaC21H21F3N6
Molecular Weight414.44 g/mol
Exact Mass414.18
IUPAC Name5-[5-[(1R,3S,5R,6R)-3-imidazol-1-yl-1-tricyclo[3.1.0.02,6]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@]12C3C(n4ccnc4)C[C@@H]1[C@H]32
InChIInChI=1S/C21H21F3N6/c1-10(2)30-16(20-12-6-15(18(20)17(12)20)29-4-3-26-9-29)7-14(28-30)11-5-13(21(22,23)24)19(25)27-8-11/h3-5,7-10,12,15,17-18H,6H2,1-2H3,(H2,25,27)/t12-,15?,17-,18?,20-/m1/s1
InChIKeyKHZDMOHZMXAMNV-PBMOWDPYSA-N
XLogP4.08
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[5-[(1R,3S,5R,6R)-3-imidazol-1-yl-1-tricyclo[3.1.0.02,6]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-[(1R,5S)-3-(dimethylamino)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 118161773
5-[1-butan-2-yl-5-[3-[methyl(2-methylsulfonylethyl)amino]-1-tricyclo[3.1.0.02,6]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123839785
N-[(1R,5S)-6-[3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-3-bicyclo[3.1.0]hexanyl]-N-methylacetamide
CID 118161780
3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(2S,5R)-1-tricyclo[3.1.0.02,6]hexanyl]pyrazol-3-yl]pyridin-2-amine
CID 154971443
5-[5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123949924
4-[(1R,3S,5R,6R)-1-[1-propan-2-yl-3-[1-(pyridin-2-ylmethyl)pyrrolo[3,2-b]pyridin-6-yl]pyrazol-5-yl]-3-tricyclo[3.1.0.02,6]hexanyl]morpholine
CID 144866306
5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 154971399
5-[5-[3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123161553
5-[5-[(1S,5R)-3-[(2S)-2-methoxymorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 118185495
5-[5-[(5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hex-1(6)-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 154971528
5-[5-[(3S,5S,6S)-3-[(2S)-2,4-dimethylpiperazin-1-yl]-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 144866262
5-[5-[(5S,6S)-3-(4-methoxypiperidin-1-yl)-6-bicyclo[3.1.0]hex-1-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 154971519

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1R,3S,5R,6R)-3-imidazol-1-yl-1-tricyclo[3.1.0.02,6]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[5-[(1R,3S,5R,6R)-3-imidazol-1-yl-1-tricyclo[3.1.0.02,6]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 162595770) is 5-[5-[(1R,3S,5R,6R)-3-imidazol-1-yl-1-tricyclo[3.1.0.02,6]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[5-[(1R,3S,5R,6R)-3-imidazol-1-yl-1-tricyclo[3.1.0.02,6]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[5-[(1R,3S,5R,6R)-3-imidazol-1-yl-1-tricyclo[3.1.0.02,6]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1[C@]12C3C(n4ccnc4)C[C@@H]1[C@H]32.
What is the InChIKey of 5-[5-[(1R,3S,5R,6R)-3-imidazol-1-yl-1-tricyclo[3.1.0.02,6]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KHZDMOHZMXAMNV-PBMOWDPYSA-N. The full InChI is InChI=1S/C21H21F3N6/c1-10(2)30-16(20-12-6-15(18(20)17(12)20)29-4-3-26-9-29)7-14(28-30)11-5-13(21(22,23)24)19(25)27-8-11/h3-5,7-10,12,15,17-18H,6H2,1-2H3,(H2,25,27)/t12-,15?,17-,18?,20-/m1/s1.
What are the key properties of 5-[5-[(1R,3S,5R,6R)-3-imidazol-1-yl-1-tricyclo[3.1.0.02,6]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[5-[(1R,3S,5R,6R)-3-imidazol-1-yl-1-tricyclo[3.1.0.02,6]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 414.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1R,3S,5R,6R)-3-imidazol-1-yl-1-tricyclo[3.1.0.02,6]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 162595770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).