5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

C22H24F5N5O — CID 154971399

IUPAC5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cc([C@]34CC5C(N6CCOCC6)C[C@H]3[C@@H]54)n(CC(F)F)n2)cc1C(F)(F)F
InChIInChI=1S/C22H24F5N5O/c23-18(24)10-32-17(7-15(30-32)11-5-14(22(25,26)27)20(28)29-9-11)21-8-12-16(6-13(21)19(12)21)31-1-3-33-4-2-31/h5,7,9,12-13,16,18-19H,1-4,6,8,10H2,(H2,28,29)/t12?,13-,16?,19+,21-/m0/s1
InChIKeyOORZVVUOYSEZGW-ZSPYHTQGSA-N
MW469.46 g/mol
LogP3.42
Rot. Bonds5

About 5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 154971399) has the molecular formula C22H24F5N5O and a molecular weight of 469.46 g/mol. Its IUPAC name is 5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID154971399
Molecular FormulaC22H24F5N5O
Molecular Weight469.46 g/mol
Exact Mass469.19
IUPAC Name5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cc([C@]34CC5C(N6CCOCC6)C[C@H]3[C@@H]54)n(CC(F)F)n2)cc1C(F)(F)F
InChIInChI=1S/C22H24F5N5O/c23-18(24)10-32-17(7-15(30-32)11-5-14(22(25,26)27)20(28)29-9-11)21-8-12-16(6-13(21)19(12)21)31-1-3-33-4-2-31/h5,7,9,12-13,16,18-19H,1-4,6,8,10H2,(H2,28,29)/t12?,13-,16?,19+,21-/m0/s1
InChIKeyOORZVVUOYSEZGW-ZSPYHTQGSA-N
XLogP3.42
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 154971399) is 5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2cc([C@]34CC5C(N6CCOCC6)C[C@H]3[C@@H]54)n(CC(F)F)n2)cc1C(F)(F)F.
What is the InChIKey of 5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OORZVVUOYSEZGW-ZSPYHTQGSA-N. The full InChI is InChI=1S/C22H24F5N5O/c23-18(24)10-32-17(7-15(30-32)11-5-14(22(25,26)27)20(28)29-9-11)21-8-12-16(6-13(21)19(12)21)31-1-3-33-4-2-31/h5,7,9,12-13,16,18-19H,1-4,6,8,10H2,(H2,28,29)/t12?,13-,16?,19+,21-/m0/s1.
What are the key properties of 5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 469.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2-difluoroethyl)-5-[(1S,2S,7R)-4-morpholin-4-yl-7-tricyclo[3.2.0.02,7]heptanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 154971399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).