N-[(5-fluoro-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylpropanamide

C12H14FN3O2 — CID 129034416

IUPACN-[(5-fluoro-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1c(F)cc2cc[nH]n2c1=O
InChIInChI=1S/C12H14FN3O2/c1-7(2)11(17)14-6-9-10(13)5-8-3-4-15-16(8)12(9)18/h3-5,7,15H,6H2,1-2H3,(H,14,17)
InChIKeyYBNKXTGYKKQKIC-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.04
Rot. Bonds3

About N-[(5-fluoro-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylpropanamide

N-[(5-fluoro-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylpropanamide (PubChem CID 129034416) has the molecular formula C12H14FN3O2 and a molecular weight of 251.26 g/mol. Its IUPAC name is N-[(5-fluoro-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(5-fluoro-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylpropanamide
PubChem CID129034416
Molecular FormulaC12H14FN3O2
Molecular Weight251.26 g/mol
Exact Mass251.11
IUPAC NameN-[(5-fluoro-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1c(F)cc2cc[nH]n2c1=O
InChIInChI=1S/C12H14FN3O2/c1-7(2)11(17)14-6-9-10(13)5-8-3-4-15-16(8)12(9)18/h3-5,7,15H,6H2,1-2H3,(H,14,17)
InChIKeyYBNKXTGYKKQKIC-UHFFFAOYSA-N
XLogP1.04
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]acetamide
CID 121371061
N-[(5-fluoro-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]acetamide
CID 121371062
2-methyl-N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide
CID 129034318
N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]propanamide
CID 129034494
N-[[7-oxo-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyridin-6-yl]methyl]butanamide
CID 144778789
N-[(7-fluoro-5-oxo-3H-indolizin-6-yl)methyl]-2-methylpropanamide
CID 148533312
N-[(5-ethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]acetamide
CID 121371021
N-[(5-methyl-7-oxo-2,3-dihydro-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]acetamide
CID 121371022
N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]acetamide
CID 121371040
N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]acetamide
CID 121371059
N-[(7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]acetamide
CID 121371060
2-methyl-N-[(7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]propanamide
CID 129034353

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(5-fluoro-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylpropanamide (CID 129034416) is N-[(5-fluoro-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(5-fluoro-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(5-fluoro-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylpropanamide is CC(C)C(=O)NCc1c(F)cc2cc[nH]n2c1=O.
What is the InChIKey of N-[(5-fluoro-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylpropanamide?
The InChIKey is YBNKXTGYKKQKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2/c1-7(2)11(17)14-6-9-10(13)5-8-3-4-15-16(8)12(9)18/h3-5,7,15H,6H2,1-2H3,(H,14,17).
What are the key properties of N-[(5-fluoro-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylpropanamide?
N-[(5-fluoro-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylpropanamide has a molecular weight of 251.26 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-7-oxo-1H-pyrazolo[1,5-a]pyridin-6-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 129034416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).