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

C21H23F3N4O — CID 165402928

IUPAC2-(4-propan-2-ylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
SMILESCC(C)c1ccc(CC(=O)N[C@H](C)c2cc3cnn(CC(F)(F)F)c3cn2)cc1
InChIInChI=1S/C21H23F3N4O/c1-13(2)16-6-4-15(5-7-16)8-20(29)27-14(3)18-9-17-10-26-28(12-21(22,23)24)19(17)11-25-18/h4-7,9-11,13-14H,8,12H2,1-3H3,(H,27,29)/t14-/m1/s1
InChIKeyMZWWSKHBNAZEFJ-CQSZACIVSA-N
MW404.44 g/mol
LogP4.54
Rot. Bonds6

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

2-(4-propan-2-ylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide (PubChem CID 165402928) has the molecular formula C21H23F3N4O and a molecular weight of 404.44 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
PubChem CID165402928
Molecular FormulaC21H23F3N4O
Molecular Weight404.44 g/mol
Exact Mass404.18
IUPAC Name2-(4-propan-2-ylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide
SMILESCC(C)c1ccc(CC(=O)N[C@H](C)c2cc3cnn(CC(F)(F)F)c3cn2)cc1
InChIInChI=1S/C21H23F3N4O/c1-13(2)16-6-4-15(5-7-16)8-20(29)27-14(3)18-9-17-10-26-28(12-21(22,23)24)19(17)11-25-18/h4-7,9-11,13-14H,8,12H2,1-3H3,(H,27,29)/t14-/m1/s1
InChIKeyMZWWSKHBNAZEFJ-CQSZACIVSA-N
XLogP4.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The IUPAC name of 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide (CID 165402928) is 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide is CC(C)c1ccc(CC(=O)N[C@H](C)c2cc3cnn(CC(F)(F)F)c3cn2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
The InChIKey is MZWWSKHBNAZEFJ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23F3N4O/c1-13(2)16-6-4-15(5-7-16)8-20(29)27-14(3)18-9-17-10-26-28(12-21(22,23)24)19(17)11-25-18/h4-7,9-11,13-14H,8,12H2,1-3H3,(H,27,29)/t14-/m1/s1.
What are the key properties of 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide?
2-(4-propan-2-ylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide has a molecular weight of 404.44 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-N-[(1R)-1-[1-(2,2,2-trifluoroethyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]acetamide is sourced from PubChem (CID 165402928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).