N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide

C20H16N4O2S — CID 23649037

IUPACN-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide
SMILES[2H]C([2H])([2H])N(C(C)=O)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3/i2D3
InChIKeyCBIAWPMZSFFRGN-BMSJAHLVSA-N
MW379.46 g/mol
LogP3.67
Rot. Bonds5

About N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide

N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide (PubChem CID 23649037) has the molecular formula C20H16N4O2S and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide.

Molecular Properties

Compound NameN-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide
PubChem CID23649037
Molecular FormulaC20H16N4O2S
Molecular Weight379.46 g/mol
Exact Mass379.12
IUPAC NameN-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide
SMILES[2H]C([2H])([2H])N(C(C)=O)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3/i2D3
InChIKeyCBIAWPMZSFFRGN-BMSJAHLVSA-N
XLogP3.67
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide?
The IUPAC name of N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide (CID 23649037) is N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide.
What is the SMILES notation for N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide?
The canonical SMILES for N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide is [2H]C([2H])([2H])N(C(C)=O)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1.
What is the InChIKey of N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide?
The InChIKey is CBIAWPMZSFFRGN-BMSJAHLVSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-13(25)23(2)15-6-3-5-14(11-15)17-8-9-21-20-16(12-22-24(17)20)19(26)18-7-4-10-27-18/h3-12H,1-2H3/i2D3.
What are the key properties of N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide?
N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide has a molecular weight of 379.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-(trideuteriomethyl)acetamide is sourced from PubChem (CID 23649037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).