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

C22H27F2N5O2 — CID 90292758

IUPAC5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(C3CCCC3)n2)cc1OC(F)F
InChIInChI=1S/C22H27F2N5O2/c23-22(24)31-19-5-12(7-26-21(19)25)17-6-18(29(27-17)13-3-1-2-4-13)20-15-8-28(9-16(15)20)14-10-30-11-14/h5-7,13-16,20,22H,1-4,8-11H2,(H2,25,26)/t15-,16+,20?
InChIKeyBBKVNENSAXKIII-NYTJIUQPSA-N
MW431.49 g/mol
LogP3.29
Rot. Bonds6

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

5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 90292758) has the molecular formula C22H27F2N5O2 and a molecular weight of 431.49 g/mol. Its IUPAC name is 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
PubChem CID90292758
Molecular FormulaC22H27F2N5O2
Molecular Weight431.49 g/mol
Exact Mass431.21
IUPAC Name5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(C3CCCC3)n2)cc1OC(F)F
InChIInChI=1S/C22H27F2N5O2/c23-22(24)31-19-5-12(7-26-21(19)25)17-6-18(29(27-17)13-3-1-2-4-13)20-15-8-28(9-16(15)20)14-10-30-11-14/h5-7,13-16,20,22H,1-4,8-11H2,(H2,25,26)/t15-,16+,20?
InChIKeyBBKVNENSAXKIII-NYTJIUQPSA-N
XLogP3.29
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine (CID 90292758) is 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine is Nc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(C3CCCC3)n2)cc1OC(F)F.
What is the InChIKey of 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?
The InChIKey is BBKVNENSAXKIII-NYTJIUQPSA-N. The full InChI is InChI=1S/C22H27F2N5O2/c23-22(24)31-19-5-12(7-26-21(19)25)17-6-18(29(27-17)13-3-1-2-4-13)20-15-8-28(9-16(15)20)14-10-30-11-14/h5-7,13-16,20,22H,1-4,8-11H2,(H2,25,26)/t15-,16+,20?.
What are the key properties of 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine?
5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 431.49 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-cyclopentyl-5-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 90292758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).