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

C20H27F2N5O2 — CID 90292695

IUPAC3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCOCCN1C[C@@H]2C(c3cc(-c4cnc(N)c(OC(F)F)c4)nn3C(C)C)[C@@H]2C1
InChIInChI=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)/t13-,14+,18?
InChIKeyDOXIUYJOFYESOJ-UUVAVEHKSA-N
MW407.47 g/mol
LogP3.00
Rot. Bonds8

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

3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (PubChem CID 90292695) has the molecular formula C20H27F2N5O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
PubChem CID90292695
Molecular FormulaC20H27F2N5O2
Molecular Weight407.47 g/mol
Exact Mass407.21
IUPAC Name3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
SMILESCOCCN1C[C@@H]2C(c3cc(-c4cnc(N)c(OC(F)F)c4)nn3C(C)C)[C@@H]2C1
InChIInChI=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)/t13-,14+,18?
InChIKeyDOXIUYJOFYESOJ-UUVAVEHKSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-[5-[(1S,5R)-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-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine (CID 90292695) is 3-(difluoromethoxy)-5-[5-[(1S,5R)-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-[(1S,5R)-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-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine is COCCN1C[C@@H]2C(c3cc(-c4cnc(N)c(OC(F)F)c4)nn3C(C)C)[C@@H]2C1.
What is the InChIKey of 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
The InChIKey is DOXIUYJOFYESOJ-UUVAVEHKSA-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)/t13-,14+,18?.
What are the key properties of 3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine?
3-(difluoromethoxy)-5-[5-[(1S,5R)-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-[(1S,5R)-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 90292695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).