6-fluoro-5-[[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C16H13F2N5O — CID 164710724

IUPAC6-fluoro-5-[[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILES[2H]C([2H])([2H])Oc1ccc(F)cc1[C@@H](C)Nc1nc2c(C#N)cnn2cc1F
InChIInChI=1S/C16H13F2N5O/c1-9(12-5-11(17)3-4-14(12)24-2)21-15-13(18)8-23-16(22-15)10(6-19)7-20-23/h3-5,7-9H,1-2H3,(H,21,22)/t9-/m1/s1/i2D3
InChIKeyOSZDZOLASDXNDJ-NNKNZJFPSA-N
MW332.33 g/mol
LogP3.06
Rot. Bonds5

About 6-fluoro-5-[[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-fluoro-5-[[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 164710724) has the molecular formula C16H13F2N5O and a molecular weight of 332.33 g/mol. Its IUPAC name is 6-fluoro-5-[[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-fluoro-5-[[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID164710724
Molecular FormulaC16H13F2N5O
Molecular Weight332.33 g/mol
Exact Mass332.13
IUPAC Name6-fluoro-5-[[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILES[2H]C([2H])([2H])Oc1ccc(F)cc1[C@@H](C)Nc1nc2c(C#N)cnn2cc1F
InChIInChI=1S/C16H13F2N5O/c1-9(12-5-11(17)3-4-14(12)24-2)21-15-13(18)8-23-16(22-15)10(6-19)7-20-23/h3-5,7-9H,1-2H3,(H,21,22)/t9-/m1/s1/i2D3
InChIKeyOSZDZOLASDXNDJ-NNKNZJFPSA-N
XLogP3.06
TPSA75.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(1R)-1-[2-(1,1-difluoroethyl)-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 164710817
2-[1-(4,5-dimethoxy-2-methylphenyl)ethylamino]-5-fluorobenzonitrile
CID 133328227
3-(5,5-dimethyl-1,2-dihydro-1,2,4-triazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 164710807
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 32572910
2-[5-[[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-4,4-dimethyl-1H-imidazol-5-one
CID 170680071
N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 155135605
3-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-5-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine
CID 170680033
N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 155135728
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-difluoroaniline
CID 43192574
6-(cyclopropylamino)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 118870020
2-[4-fluoro-2-[1-[(3-iodopyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]phenoxy]ethanol
CID 163625527
N-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801803

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-fluoro-5-[[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 164710724) is 6-fluoro-5-[[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-fluoro-5-[[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-fluoro-5-[[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is [2H]C([2H])([2H])Oc1ccc(F)cc1[C@@H](C)Nc1nc2c(C#N)cnn2cc1F.
What is the InChIKey of 6-fluoro-5-[[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is OSZDZOLASDXNDJ-NNKNZJFPSA-N. The full InChI is InChI=1S/C16H13F2N5O/c1-9(12-5-11(17)3-4-14(12)24-2)21-15-13(18)8-23-16(22-15)10(6-19)7-20-23/h3-5,7-9H,1-2H3,(H,21,22)/t9-/m1/s1/i2D3.
What are the key properties of 6-fluoro-5-[[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-fluoro-5-[[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 332.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[[(1R)-1-[5-fluoro-2-(trideuteriomethoxy)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 164710724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).