N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]butanamide

C13H14F3N3O2 — CID 144778789

IUPACN-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]butanamide
SMILESCCCC(=O)NCc1c(C(F)(F)F)cc2cc[nH]n2c1=O
InChIInChI=1S/C13H14F3N3O2/c1-2-3-11(20)17-7-9-10(13(14,15)16)6-8-4-5-18-19(8)12(9)21/h4-6,18H,2-3,7H2,1H3,(H,17,20)
InChIKeyLIZFFJVSMFVCNK-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.06
Rot. Bonds4

About N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]butanamide

N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]butanamide (PubChem CID 144778789) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]butanamide
PubChem CID144778789
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC NameN-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]butanamide
SMILESCCCC(=O)NCc1c(C(F)(F)F)cc2cc[nH]n2c1=O
InChIInChI=1S/C13H14F3N3O2/c1-2-3-11(20)17-7-9-10(13(14,15)16)6-8-4-5-18-19(8)12(9)21/h4-6,18H,2-3,7H2,1H3,(H,17,20)
InChIKeyLIZFFJVSMFVCNK-UHFFFAOYSA-N
XLogP2.06
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]butanamide?
The IUPAC name of N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]butanamide (CID 144778789) is N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]butanamide.
What is the SMILES notation for N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]butanamide?
The canonical SMILES for N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]butanamide is CCCC(=O)NCc1c(C(F)(F)F)cc2cc[nH]n2c1=O.
What is the InChIKey of N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]butanamide?
The InChIKey is LIZFFJVSMFVCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-2-3-11(20)17-7-9-10(13(14,15)16)6-8-4-5-18-19(8)12(9)21/h4-6,18H,2-3,7H2,1H3,(H,17,20).
What are the key properties of N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]butanamide?
N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]butanamide has a molecular weight of 301.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]butanamide is sourced from PubChem (CID 144778789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).