3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide

C21H17F2N5O2 — CID 164572101

IUPAC3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Cn2ccc3cc(-c4cn[nH]c4C(F)F)ncc3c2=O)c1
InChIInChI=1S/C21H17F2N5O2/c1-24-20(29)14-4-2-3-12(7-14)11-28-6-5-13-8-17(25-9-15(13)21(28)30)16-10-26-27-18(16)19(22)23/h2-10,19H,11H2,1H3,(H,24,29)(H,26,27)
InChIKeyNRNCZSWWRMJYSS-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.13
Rot. Bonds5

About 3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide

3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide (PubChem CID 164572101) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is 3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide
PubChem CID164572101
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Name3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(Cn2ccc3cc(-c4cn[nH]c4C(F)F)ncc3c2=O)c1
InChIInChI=1S/C21H17F2N5O2/c1-24-20(29)14-4-2-3-12(7-14)11-28-6-5-13-8-17(25-9-15(13)21(28)30)16-10-26-27-18(16)19(22)23/h2-10,19H,11H2,1H3,(H,24,29)(H,26,27)
InChIKeyNRNCZSWWRMJYSS-UHFFFAOYSA-N
XLogP3.13
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-5-fluoro-N-(oxan-4-ylmethyl)benzamide
CID 164572288
3-fluoro-5-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-(oxan-4-yl)benzamide
CID 164572100
N-(2-fluoro-4-pyridinyl)-3-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]benzamide
CID 167403795
3-[(6-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]benzoic acid
CID 167403847
3-[[7-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-oxoquinazolin-3-yl]methyl]-N-(oxan-4-ylmethyl)benzamide
CID 164572167
3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxoisoquinolin-2-yl]methyl]-5-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 167403786
3-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 164572597
N-methyl-3-[[3-(3-methyl-1,2-oxazol-4-yl)-8-oxo-1,7-naphthyridin-7-yl]methyl]benzamide
CID 164572203
3-[[1-oxo-6-[5-(trifluoromethyl)-1H-pyrazol-4-yl]isoquinolin-2-yl]methyl]-N-(4-sulfamoylphenyl)benzamide
CID 167162428
3-[[3-[5-(acetamidomethyl)-2-(4-fluorophenyl)-4-pyridinyl]pyrazol-1-yl]methyl]-N-methylbenzamide
CID 169043645
3-[(6-chloro-1-oxoisoquinolin-2-yl)methyl]benzoic acid
CID 93225210
2-[(3-methoxyphenyl)methyl]-6-(5-methyl-1H-pyrazol-4-yl)isoquinolin-1-one
CID 164572220

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide (CID 164572101) is 3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide is CNC(=O)c1cccc(Cn2ccc3cc(-c4cn[nH]c4C(F)F)ncc3c2=O)c1.
What is the InChIKey of 3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide?
The InChIKey is NRNCZSWWRMJYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-24-20(29)14-4-2-3-12(7-14)11-28-6-5-13-8-17(25-9-15(13)21(28)30)16-10-26-27-18(16)19(22)23/h2-10,19H,11H2,1H3,(H,24,29)(H,26,27).
What are the key properties of 3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide?
3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide has a molecular weight of 409.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 164572101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).