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

C22H26F3N5O — CID 118636617

IUPAC5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CN(C5CCO5)C[C@@H]34)n(C3CCCC3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H26F3N5O/c23-22(24,25)16-7-12(9-27-21(16)26)17-8-18(30(28-17)13-3-1-2-4-13)20-14-10-29(11-15(14)20)19-5-6-31-19/h7-9,13-15,19-20H,1-6,10-11H2,(H2,26,27)/t14-,15+,19?,20?
InChIKeyPQYWXZZVPCNFCX-JNKARSBBSA-N
MW433.48 g/mol
LogP4.05
Rot. Bonds4

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

5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 118636617) has the molecular formula C22H26F3N5O and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID118636617
Molecular FormulaC22H26F3N5O
Molecular Weight433.48 g/mol
Exact Mass433.21
IUPAC Name5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CN(C5CCO5)C[C@@H]34)n(C3CCCC3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H26F3N5O/c23-22(24,25)16-7-12(9-27-21(16)26)17-8-18(30(28-17)13-3-1-2-4-13)20-14-10-29(11-15(14)20)19-5-6-31-19/h7-9,13-15,19-20H,1-6,10-11H2,(H2,26,27)/t14-,15+,19?,20?
InChIKeyPQYWXZZVPCNFCX-JNKARSBBSA-N
XLogP4.05
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-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

Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 118636617) is 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2cc(C3[C@H]4CN(C5CCO5)C[C@@H]34)n(C3CCCC3)n2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PQYWXZZVPCNFCX-JNKARSBBSA-N. The full InChI is InChI=1S/C22H26F3N5O/c23-22(24,25)16-7-12(9-27-21(16)26)17-8-18(30(28-17)13-3-1-2-4-13)20-14-10-29(11-15(14)20)19-5-6-31-19/h7-9,13-15,19-20H,1-6,10-11H2,(H2,26,27)/t14-,15+,19?,20?.
What are the key properties of 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 433.48 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 118636617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).