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

C22H26F3N5O — CID 123282994

IUPAC5-[1-cyclopentyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3C4CN(C5COC5)CC43)n(C3CCCC3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H26F3N5O/c23-22(24,25)17-5-12(7-27-21(17)26)18-6-19(30(28-18)13-3-1-2-4-13)20-15-8-29(9-16(15)20)14-10-31-11-14/h5-7,13-16,20H,1-4,8-11H2,(H2,26,27)
InChIKeyOBVKSDPNQMUUQT-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.71
Rot. Bonds4

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

5-[1-cyclopentyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 123282994) has the molecular formula C22H26F3N5O and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-[1-cyclopentyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-cyclopentyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID123282994
Molecular FormulaC22H26F3N5O
Molecular Weight433.48 g/mol
Exact Mass433.21
IUPAC Name5-[1-cyclopentyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3C4CN(C5COC5)CC43)n(C3CCCC3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H26F3N5O/c23-22(24,25)17-5-12(7-27-21(17)26)18-6-19(30(28-18)13-3-1-2-4-13)20-15-8-29(9-16(15)20)14-10-31-11-14/h5-7,13-16,20H,1-4,8-11H2,(H2,26,27)
InChIKeyOBVKSDPNQMUUQT-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclopentyl-5-[3-(oxetan-3-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-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 123282994) is 5-[1-cyclopentyl-5-[3-(oxetan-3-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-[3-(oxetan-3-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-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2cc(C3C4CN(C5COC5)CC43)n(C3CCCC3)n2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-cyclopentyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OBVKSDPNQMUUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O/c23-22(24,25)17-5-12(7-27-21(17)26)18-6-19(30(28-18)13-3-1-2-4-13)20-15-8-29(9-16(15)20)14-10-31-11-14/h5-7,13-16,20H,1-4,8-11H2,(H2,26,27).
What are the key properties of 5-[1-cyclopentyl-5-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[1-cyclopentyl-5-[3-(oxetan-3-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 3.71, 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-[3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 123282994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).