3-(difluoromethoxy)-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

C20H27F2N5O2 — CID 123665383

About 3-(difluoromethoxy)-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine

3-(difluoromethoxy)-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (PubChem CID 123665383) has the molecular formula C20H27F2N5O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3-(difluoromethoxy)-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
• PubChem CID: 123665383
• Molecular Formula: C20H27F2N5O2
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.21
• IUPAC Name: 3-(difluoromethoxy)-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
• SMILES: COCCN1CC2C(C1)C2c1cc(-c2cnc(N)c(OC(F)F)c2)nn1C(C)C
• InChI: InChI=1S/C20H27F2N5O2/c1-11(2)27-16(18-13-9-26(4-5-28-3)10-14(13)18)7-15(25-27)12-6-17(29-20(21)22)19(23)24-8-12/h6-8,11,13-14,18,20H,4-5,9-10H2,1-3H3,(H2,23,24)
• InChIKey: DOXIUYJOFYESOJ-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?

The IUPAC name of 3-(difluoromethoxy)-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (CID 123665383) is 3-(difluoromethoxy)-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

What is the SMILES notation for 3-(difluoromethoxy)-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?

The canonical SMILES for 3-(difluoromethoxy)-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is COCCN1CC2C(C1)C2c1cc(-c2cnc(N)c(OC(F)F)c2)nn1C(C)C.

What is the InChIKey of 3-(difluoromethoxy)-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?

The InChIKey is DOXIUYJOFYESOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N5O2/c1-11(2)27-16(18-13-9-26(4-5-28-3)10-14(13)18)7-15(25-27)12-6-17(29-20(21)22)19(23)24-8-12/h6-8,11,13-14,18,20H,4-5,9-10H2,1-3H3,(H2,23,24).

What are the key properties of 3-(difluoromethoxy)-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?

3-(difluoromethoxy)-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine has a molecular weight of 407.47 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(difluoromethoxy)-5-[5-[3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 123665383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).