5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

C23H28F3N5O2 — CID 118161731

IUPAC5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC3(CCN3C3COC3)C[C@@H]12
InChIInChI=1S/C23H28F3N5O2/c1-12(2)31-18(6-17(29-31)13-5-19(21(27)28-9-13)33-23(24,25)26)20-15-7-22(8-16(15)20)3-4-30(22)14-10-32-11-14/h5-6,9,12,14-16,20H,3-4,7-8,10-11H2,1-2H3,(H2,27,28)/t15-,16+,20?,22?
InChIKeyOYNNRPBBTPFOGA-UDGVVTHMSA-N
MW463.50 g/mol
LogP3.97
Rot. Bonds5

About 5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 118161731) has the molecular formula C23H28F3N5O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is 5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID118161731
Molecular FormulaC23H28F3N5O2
Molecular Weight463.50 g/mol
Exact Mass463.22
IUPAC Name5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC3(CCN3C3COC3)C[C@@H]12
InChIInChI=1S/C23H28F3N5O2/c1-12(2)31-18(6-17(29-31)13-5-19(21(27)28-9-13)33-23(24,25)26)20-15-7-22(8-16(15)20)3-4-30(22)14-10-32-11-14/h5-6,9,12,14-16,20H,3-4,7-8,10-11H2,1-2H3,(H2,27,28)/t15-,16+,20?,22?
InChIKeyOYNNRPBBTPFOGA-UDGVVTHMSA-N
XLogP3.97
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)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

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 118161731) is 5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2CC3(CCN3C3COC3)C[C@@H]12.
What is the InChIKey of 5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is OYNNRPBBTPFOGA-UDGVVTHMSA-N. The full InChI is InChI=1S/C23H28F3N5O2/c1-12(2)31-18(6-17(29-31)13-5-19(21(27)28-9-13)33-23(24,25)26)20-15-7-22(8-16(15)20)3-4-30(22)14-10-32-11-14/h5-6,9,12,14-16,20H,3-4,7-8,10-11H2,1-2H3,(H2,27,28)/t15-,16+,20?,22?.
What are the key properties of 5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine?
5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 463.50 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(1'R,5'S)-1-(oxetan-3-yl)spiro[azetidine-2,3'-bicyclo[3.1.0]hexane]-6'-yl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 118161731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).