7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H18F2N6O3S — CID 16671809

IUPAC7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1cnn2c(C(F)F)cc(C)nc12
InChIInChI=1S/C19H18F2N6O3S/c1-3-11(9-26-19(29)30-18(25-26)14-5-4-6-31-14)24-17(28)12-8-22-27-13(15(20)21)7-10(2)23-16(12)27/h4-8,11,15H,3,9H2,1-2H3,(H,24,28)/t11-/m0/s1
InChIKeyHKTJQMQNRQFKKY-NSHDSACASA-N
MW448.46 g/mol
LogP3.06
Rot. Bonds7

About 7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 16671809) has the molecular formula C19H18F2N6O3S and a molecular weight of 448.46 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID16671809
Molecular FormulaC19H18F2N6O3S
Molecular Weight448.46 g/mol
Exact Mass448.11
IUPAC Name7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1cnn2c(C(F)F)cc(C)nc12
InChIInChI=1S/C19H18F2N6O3S/c1-3-11(9-26-19(29)30-18(25-26)14-5-4-6-31-14)24-17(28)12-8-22-27-13(15(20)21)7-10(2)23-16(12)27/h4-8,11,15H,3,9H2,1-2H3,(H,24,28)/t11-/m0/s1
InChIKeyHKTJQMQNRQFKKY-NSHDSACASA-N
XLogP3.06
TPSA107.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 16671809) is 7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)c1cnn2c(C(F)F)cc(C)nc12.
What is the InChIKey of 7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HKTJQMQNRQFKKY-NSHDSACASA-N. The full InChI is InChI=1S/C19H18F2N6O3S/c1-3-11(9-26-19(29)30-18(25-26)14-5-4-6-31-14)24-17(28)12-8-22-27-13(15(20)21)7-10(2)23-16(12)27/h4-8,11,15H,3,9H2,1-2H3,(H,24,28)/t11-/m0/s1.
What are the key properties of 7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 448.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16671809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).