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

C25H24FN5O3 — CID 164572100

IUPAC3-fluoro-5-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-(oxan-4-yl)benzamide
SMILESCc1[nH]ncc1-c1cc2ccn(Cc3cc(F)cc(C(=O)NC4CCOCC4)c3)c(=O)c2cn1
InChIInChI=1S/C25H24FN5O3/c1-15-21(13-28-30-15)23-11-17-2-5-31(25(33)22(17)12-27-23)14-16-8-18(10-19(26)9-16)24(32)29-20-3-6-34-7-4-20/h2,5,8-13,20H,3-4,6-7,14H2,1H3,(H,28,30)(H,29,32)
InChIKeySJJPVJWGEBSUSG-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.19
Rot. Bonds5

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

3-fluoro-5-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-(oxan-4-yl)benzamide (PubChem CID 164572100) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 3-fluoro-5-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-5-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-(oxan-4-yl)benzamide
PubChem CID164572100
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name3-fluoro-5-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-(oxan-4-yl)benzamide
SMILESCc1[nH]ncc1-c1cc2ccn(Cc3cc(F)cc(C(=O)NC4CCOCC4)c3)c(=O)c2cn1
InChIInChI=1S/C25H24FN5O3/c1-15-21(13-28-30-15)23-11-17-2-5-31(25(33)22(17)12-27-23)14-16-8-18(10-19(26)9-16)24(32)29-20-3-6-34-7-4-20/h2,5,8-13,20H,3-4,6-7,14H2,1H3,(H,28,30)(H,29,32)
InChIKeySJJPVJWGEBSUSG-UHFFFAOYSA-N
XLogP3.19
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-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-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-methylbenzamide
CID 164572101
3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxoisoquinolin-2-yl]methyl]-5-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 167403786
N-cyclopropyl-4-methyl-3-[2-[(6-methyl-3-pyridinyl)methyl]-1-oxoisoquinolin-6-yl]benzamide
CID 67990496
6-fluoro-N-(oxan-4-yl)quinoline-3-carboxamide
CID 166186547
N-[4-(oxan-4-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 22933507
5-[(3,5-difluorophenyl)methylamino]-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063467
N-cyclopropyl-5-[(4-fluorophenyl)methyl]-2-methyl-4-oxofuro[3,2-c]pyridine-3-carboxamide
CID 71838282
2-(ethylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
CID 62170267
2-[(3-methoxyphenyl)methyl]-6-(5-methyl-1H-pyrazol-4-yl)isoquinolin-1-one
CID 164572220
4-(4-ethyl-2-pyridinyl)-N-(oxan-4-yl)benzamide
CID 167003948

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-(oxan-4-yl)benzamide?
The IUPAC name of 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) is 3-fluoro-5-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 3-fluoro-5-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-(oxan-4-yl)benzamide?
The canonical SMILES for 3-fluoro-5-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-(oxan-4-yl)benzamide is Cc1[nH]ncc1-c1cc2ccn(Cc3cc(F)cc(C(=O)NC4CCOCC4)c3)c(=O)c2cn1.
What is the InChIKey of 3-fluoro-5-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-(oxan-4-yl)benzamide?
The InChIKey is SJJPVJWGEBSUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-15-21(13-28-30-15)23-11-17-2-5-31(25(33)22(17)12-27-23)14-16-8-18(10-19(26)9-16)24(32)29-20-3-6-34-7-4-20/h2,5,8-13,20H,3-4,6-7,14H2,1H3,(H,28,30)(H,29,32).
What are the key properties of 3-fluoro-5-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-(oxan-4-yl)benzamide?
3-fluoro-5-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-(oxan-4-yl)benzamide has a molecular weight of 461.50 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[6-(5-methyl-1H-pyrazol-4-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 164572100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).