N-(5-methyl-1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H12F3N7O2 — CID 58063098

IUPACN-(5-methyl-1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3ccc(Nc4cccc(C(F)(F)F)n4)nc23)no1
InChIInChI=1S/C17H12F3N7O2/c1-9-7-14(26-29-9)25-16(28)10-8-21-27-6-5-13(24-15(10)27)23-12-4-2-3-11(22-12)17(18,19)20/h2-8H,1H3,(H,22,23,24)(H,25,26,28)
InChIKeyQWJCLLMBGVRKIS-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.44
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58063098) has the molecular formula C17H12F3N7O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58063098
Molecular FormulaC17H12F3N7O2
Molecular Weight403.32 g/mol
Exact Mass403.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3ccc(Nc4cccc(C(F)(F)F)n4)nc23)no1
InChIInChI=1S/C17H12F3N7O2/c1-9-7-14(26-29-9)25-16(28)10-8-21-27-6-5-13(24-15(10)27)23-12-4-2-3-11(22-12)17(18,19)20/h2-8H,1H3,(H,22,23,24)(H,25,26,28)
InChIKeyQWJCLLMBGVRKIS-UHFFFAOYSA-N
XLogP3.44
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58063098) is N-(5-methyl-1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(NC(=O)c2cnn3ccc(Nc4cccc(C(F)(F)F)n4)nc23)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QWJCLLMBGVRKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N7O2/c1-9-7-14(26-29-9)25-16(28)10-8-21-27-6-5-13(24-15(10)27)23-12-4-2-3-11(22-12)17(18,19)20/h2-8H,1H3,(H,22,23,24)(H,25,26,28).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 403.32 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58063098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).