N-[(1R)-1-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide

C22H25F3N4O — CID 165402912

IUPACN-[(1R)-1-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCc1nn(CC(F)(F)F)c2cnc([C@@H](C)NC(=O)Cc3ccc(C(C)C)cc3)cc12
InChIInChI=1S/C22H25F3N4O/c1-13(2)17-7-5-16(6-8-17)9-21(30)27-15(4)19-10-18-14(3)28-29(12-22(23,24)25)20(18)11-26-19/h5-8,10-11,13,15H,9,12H2,1-4H3,(H,27,30)/t15-/m1/s1
InChIKeyAMSXQADRSKCVAD-OAHLLOKOSA-N
MW418.46 g/mol
LogP4.85
Rot. Bonds6

About N-[(1R)-1-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide

N-[(1R)-1-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 165402912) has the molecular formula C22H25F3N4O and a molecular weight of 418.46 g/mol. Its IUPAC name is N-[(1R)-1-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID165402912
Molecular FormulaC22H25F3N4O
Molecular Weight418.46 g/mol
Exact Mass418.20
IUPAC NameN-[(1R)-1-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCc1nn(CC(F)(F)F)c2cnc([C@@H](C)NC(=O)Cc3ccc(C(C)C)cc3)cc12
InChIInChI=1S/C22H25F3N4O/c1-13(2)17-7-5-16(6-8-17)9-21(30)27-15(4)19-10-18-14(3)28-29(12-22(23,24)25)20(18)11-26-19/h5-8,10-11,13,15H,9,12H2,1-4H3,(H,27,30)/t15-/m1/s1
InChIKeyAMSXQADRSKCVAD-OAHLLOKOSA-N
XLogP4.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[(1R)-1-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide (CID 165402912) is N-[(1R)-1-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[(1R)-1-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[(1R)-1-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide is Cc1nn(CC(F)(F)F)c2cnc([C@@H](C)NC(=O)Cc3ccc(C(C)C)cc3)cc12.
What is the InChIKey of N-[(1R)-1-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is AMSXQADRSKCVAD-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25F3N4O/c1-13(2)17-7-5-16(6-8-17)9-21(30)27-15(4)19-10-18-14(3)28-29(12-22(23,24)25)20(18)11-26-19/h5-8,10-11,13,15H,9,12H2,1-4H3,(H,27,30)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide?
N-[(1R)-1-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 418.46 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 165402912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).