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

C19H22F5N5O — CID 90292673

IUPAC3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CN(CC(F)(F)F)C[C@@H]12
InChIInChI=1S/C19H22F5N5O/c1-9(2)29-14(16-11-6-28(7-12(11)16)8-19(22,23)24)4-13(27-29)10-3-15(30-18(20)21)17(25)26-5-10/h3-5,9,11-12,16,18H,6-8H2,1-2H3,(H2,25,26)/t11-,12+,16?
InChIKeyKWRYKENEGUJCJW-HBBFGDNQSA-N
MW431.41 g/mol
LogP3.92
Rot. Bonds6

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

3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine (PubChem CID 90292673) has the molecular formula C19H22F5N5O and a molecular weight of 431.41 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine
PubChem CID90292673
Molecular FormulaC19H22F5N5O
Molecular Weight431.41 g/mol
Exact Mass431.17
IUPAC Name3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CN(CC(F)(F)F)C[C@@H]12
InChIInChI=1S/C19H22F5N5O/c1-9(2)29-14(16-11-6-28(7-12(11)16)8-19(22,23)24)4-13(27-29)10-3-15(30-18(20)21)17(25)26-5-10/h3-5,9,11-12,16,18H,6-8H2,1-2H3,(H2,25,26)/t11-,12+,16?
InChIKeyKWRYKENEGUJCJW-HBBFGDNQSA-N
XLogP3.92
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine (CID 90292673) is 3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine is CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C1[C@H]2CN(CC(F)(F)F)C[C@@H]12.
What is the InChIKey of 3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine?
The InChIKey is KWRYKENEGUJCJW-HBBFGDNQSA-N. The full InChI is InChI=1S/C19H22F5N5O/c1-9(2)29-14(16-11-6-28(7-12(11)16)8-19(22,23)24)4-13(27-29)10-3-15(30-18(20)21)17(25)26-5-10/h3-5,9,11-12,16,18H,6-8H2,1-2H3,(H2,25,26)/t11-,12+,16?.
What are the key properties of 3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine?
3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine has a molecular weight of 431.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(1R,5S)-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 90292673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).