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

C22H26F2N4O — CID 165402896

IUPACN-[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)N[C@H](C)c2cc3cnn(CC(C)(F)F)c3cn2)cc1
InChIInChI=1S/C22H26F2N4O/c1-14(2)17-7-5-16(6-8-17)9-21(29)27-15(3)19-10-18-11-26-28(13-22(4,23)24)20(18)12-25-19/h5-8,10-12,14-15H,9,13H2,1-4H3,(H,27,29)/t15-/m1/s1
InChIKeyIBJRTFZFPFQKFA-OAHLLOKOSA-N
MW400.47 g/mol
LogP4.63
Rot. Bonds7

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

N-[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 165402896) has the molecular formula C22H26F2N4O and a molecular weight of 400.47 g/mol. Its IUPAC name is N-[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID165402896
Molecular FormulaC22H26F2N4O
Molecular Weight400.47 g/mol
Exact Mass400.21
IUPAC NameN-[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)N[C@H](C)c2cc3cnn(CC(C)(F)F)c3cn2)cc1
InChIInChI=1S/C22H26F2N4O/c1-14(2)17-7-5-16(6-8-17)9-21(29)27-15(3)19-10-18-11-26-28(13-22(4,23)24)20(18)12-25-19/h5-8,10-12,14-15H,9,13H2,1-4H3,(H,27,29)/t15-/m1/s1
InChIKeyIBJRTFZFPFQKFA-OAHLLOKOSA-N
XLogP4.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide (CID 165402896) is N-[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(CC(=O)N[C@H](C)c2cc3cnn(CC(C)(F)F)c3cn2)cc1.
What is the InChIKey of N-[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is IBJRTFZFPFQKFA-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H26F2N4O/c1-14(2)17-7-5-16(6-8-17)9-21(29)27-15(3)19-10-18-11-26-28(13-22(4,23)24)20(18)12-25-19/h5-8,10-12,14-15H,9,13H2,1-4H3,(H,27,29)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide?
N-[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 400.47 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(2,2-difluoropropyl)pyrazolo[3,4-c]pyridin-5-yl]ethyl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 165402896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).