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

C26H24F3N5O3 — CID 164572288

IUPAC3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-5-fluoro-N-(oxan-4-ylmethyl)benzamide
SMILESO=C(NCC1CCOCC1)c1cc(F)cc(Cn2ccc3cc(-c4cn[nH]c4C(F)F)ncc3c2=O)c1
InChIInChI=1S/C26H24F3N5O3/c27-19-8-16(7-18(9-19)25(35)31-11-15-2-5-37-6-3-15)14-34-4-1-17-10-22(30-12-20(17)26(34)36)21-13-32-33-23(21)24(28)29/h1,4,7-10,12-13,15,24H,2-3,5-6,11,14H2,(H,31,35)(H,32,33)
InChIKeyGPUWQSYIYWDCGR-UHFFFAOYSA-N
MW511.50 g/mol
LogP4.07
Rot. Bonds7

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

3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-5-fluoro-N-(oxan-4-ylmethyl)benzamide (PubChem CID 164572288) has the molecular formula C26H24F3N5O3 and a molecular weight of 511.50 g/mol. Its IUPAC name is 3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-5-fluoro-N-(oxan-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-5-fluoro-N-(oxan-4-ylmethyl)benzamide
PubChem CID164572288
Molecular FormulaC26H24F3N5O3
Molecular Weight511.50 g/mol
Exact Mass511.18
IUPAC Name3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-5-fluoro-N-(oxan-4-ylmethyl)benzamide
SMILESO=C(NCC1CCOCC1)c1cc(F)cc(Cn2ccc3cc(-c4cn[nH]c4C(F)F)ncc3c2=O)c1
InChIInChI=1S/C26H24F3N5O3/c27-19-8-16(7-18(9-19)25(35)31-11-15-2-5-37-6-3-15)14-34-4-1-17-10-22(30-12-20(17)26(34)36)21-13-32-33-23(21)24(28)29/h1,4,7-10,12-13,15,24H,2-3,5-6,11,14H2,(H,31,35)(H,32,33)
InChIKeyGPUWQSYIYWDCGR-UHFFFAOYSA-N
XLogP4.07
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide
CID 164572101
3-[[7-[5-(difluoromethyl)-1H-pyrazol-4-yl]-4-oxoquinazolin-3-yl]methyl]-N-(oxan-4-ylmethyl)benzamide
CID 164572167
3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide
CID 164572306
3,4,5-trifluoro-N-(oxan-4-ylmethyl)benzamide
CID 63235633
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736373
3,5-difluoro-4-(methylamino)-N-(oxan-4-ylmethyl)benzamide
CID 63707599
N-(2-fluoro-4-pyridinyl)-3-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]benzamide
CID 167403795
2-(3-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736416
N-(oxan-4-ylmethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 166287482
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364

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]-5-fluoro-N-(oxan-4-ylmethyl)benzamide?
The IUPAC name of 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) is 3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-5-fluoro-N-(oxan-4-ylmethyl)benzamide.
What is the SMILES notation for 3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-5-fluoro-N-(oxan-4-ylmethyl)benzamide?
The canonical SMILES for 3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-5-fluoro-N-(oxan-4-ylmethyl)benzamide is O=C(NCC1CCOCC1)c1cc(F)cc(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]-5-fluoro-N-(oxan-4-ylmethyl)benzamide?
The InChIKey is GPUWQSYIYWDCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O3/c27-19-8-16(7-18(9-19)25(35)31-11-15-2-5-37-6-3-15)14-34-4-1-17-10-22(30-12-20(17)26(34)36)21-13-32-33-23(21)24(28)29/h1,4,7-10,12-13,15,24H,2-3,5-6,11,14H2,(H,31,35)(H,32,33).
What are the key properties of 3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-5-fluoro-N-(oxan-4-ylmethyl)benzamide?
3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-5-fluoro-N-(oxan-4-ylmethyl)benzamide has a molecular weight of 511.50 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 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]-5-fluoro-N-(oxan-4-ylmethyl)benzamide is sourced from PubChem (CID 164572288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).