2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)acetamide

C19H20F3N5O2S — CID 4770785

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCCc1cc2c(=O)n(NC(=O)Cn3nc(C(F)(F)F)cc3C3CC3)c(C)nc2s1
InChIInChI=1S/C19H20F3N5O2S/c1-3-4-12-7-13-17(30-12)23-10(2)27(18(13)29)25-16(28)9-26-14(11-5-6-11)8-15(24-26)19(20,21)22/h7-8,11H,3-6,9H2,1-2H3,(H,25,28)
InChIKeyCLVWGIZZEHNTKT-UHFFFAOYSA-N
MW439.46 g/mol
LogP3.58
Rot. Bonds6

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 4770785) has the molecular formula C19H20F3N5O2S and a molecular weight of 439.46 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID4770785
Molecular FormulaC19H20F3N5O2S
Molecular Weight439.46 g/mol
Exact Mass439.13
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCCc1cc2c(=O)n(NC(=O)Cn3nc(C(F)(F)F)cc3C3CC3)c(C)nc2s1
InChIInChI=1S/C19H20F3N5O2S/c1-3-4-12-7-13-17(30-12)23-10(2)27(18(13)29)25-16(28)9-26-14(11-5-6-11)8-15(24-26)19(20,21)22/h7-8,11H,3-6,9H2,1-2H3,(H,25,28)
InChIKeyCLVWGIZZEHNTKT-UHFFFAOYSA-N
XLogP3.58
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)acetamide (CID 4770785) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)acetamide is CCCc1cc2c(=O)n(NC(=O)Cn3nc(C(F)(F)F)cc3C3CC3)c(C)nc2s1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is CLVWGIZZEHNTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O2S/c1-3-4-12-7-13-17(30-12)23-10(2)27(18(13)29)25-16(28)9-26-14(11-5-6-11)8-15(24-26)19(20,21)22/h7-8,11H,3-6,9H2,1-2H3,(H,25,28).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 439.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methyl-4-oxo-6-propylthieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 4770785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).