1-methyl-2-oxo-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine-3-carboxamide

C14H10F3N5O2 — CID 91629060

IUPAC1-methyl-2-oxo-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)Nc2cnc3cc(C(F)(F)F)nn3c2)c1=O
InChIInChI=1S/C14H10F3N5O2/c1-21-4-2-3-9(13(21)24)12(23)19-8-6-18-11-5-10(14(15,16)17)20-22(11)7-8/h2-7H,1H3,(H,19,23)
InChIKeyMSNQNJNLDHLZKL-UHFFFAOYSA-N
MW337.26 g/mol
LogP1.70
Rot. Bonds2

About 1-methyl-2-oxo-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine-3-carboxamide

1-methyl-2-oxo-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine-3-carboxamide (PubChem CID 91629060) has the molecular formula C14H10F3N5O2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine-3-carboxamide
PubChem CID91629060
Molecular FormulaC14H10F3N5O2
Molecular Weight337.26 g/mol
Exact Mass337.08
IUPAC Name1-methyl-2-oxo-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine-3-carboxamide
SMILESCn1cccc(C(=O)Nc2cnc3cc(C(F)(F)F)nn3c2)c1=O
InChIInChI=1S/C14H10F3N5O2/c1-21-4-2-3-9(13(21)24)12(23)19-8-6-18-11-5-10(14(15,16)17)20-22(11)7-8/h2-7H,1H3,(H,19,23)
InChIKeyMSNQNJNLDHLZKL-UHFFFAOYSA-N
XLogP1.70
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine-3-carboxamide (CID 91629060) is 1-methyl-2-oxo-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine-3-carboxamide is Cn1cccc(C(=O)Nc2cnc3cc(C(F)(F)F)nn3c2)c1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine-3-carboxamide?
The InChIKey is MSNQNJNLDHLZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2/c1-21-4-2-3-9(13(21)24)12(23)19-8-6-18-11-5-10(14(15,16)17)20-22(11)7-8/h2-7H,1H3,(H,19,23).
What are the key properties of 1-methyl-2-oxo-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine-3-carboxamide?
1-methyl-2-oxo-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine-3-carboxamide has a molecular weight of 337.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine-3-carboxamide is sourced from PubChem (CID 91629060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).