3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide

C27H30FN7O2 — CID 164572306

IUPAC3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide
SMILESCN1CCN(CCNC(=O)c2cc(F)cc(Cn3ccc4cc(-c5ccnn5C)ncc4c3=O)c2)CC1
InChIInChI=1S/C27H30FN7O2/c1-32-9-11-34(12-10-32)8-6-29-26(36)21-13-19(14-22(28)15-21)18-35-7-4-20-16-24(25-3-5-31-33(25)2)30-17-23(20)27(35)37/h3-5,7,13-17H,6,8-12,18H2,1-2H3,(H,29,36)
InChIKeyWDPYDIPZTDGAQW-UHFFFAOYSA-N
MW503.58 g/mol
LogP1.96
Rot. Bonds7

About 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide

3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide (PubChem CID 164572306) has the molecular formula C27H30FN7O2 and a molecular weight of 503.58 g/mol. Its IUPAC name is 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide
PubChem CID164572306
Molecular FormulaC27H30FN7O2
Molecular Weight503.58 g/mol
Exact Mass503.24
IUPAC Name3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide
SMILESCN1CCN(CCNC(=O)c2cc(F)cc(Cn3ccc4cc(-c5ccnn5C)ncc4c3=O)c2)CC1
InChIInChI=1S/C27H30FN7O2/c1-32-9-11-34(12-10-32)8-6-29-26(36)21-13-19(14-22(28)15-21)18-35-7-4-20-16-24(25-3-5-31-33(25)2)30-17-23(20)27(35)37/h3-5,7,13-17H,6,8-12,18H2,1-2H3,(H,29,36)
InChIKeyWDPYDIPZTDGAQW-UHFFFAOYSA-N
XLogP1.96
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.58
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide with MolForge

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Related Compounds

3-[[6-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1-oxoisoquinolin-2-yl]methyl]-5-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 167403786
2-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 107362791
3-[[6-(2-methylpyrazol-3-yl)-1-oxoisoquinolin-2-yl]methyl]-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 164572141
2-(aminomethyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-4-carboxamide
CID 114325905
1-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 97407343
4-[3-[2-(4-fluorophenyl)-4-pyridinyl]imidazo[1,2-a]pyridin-7-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 68522242
N-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]-3-pyrazol-1-ylbenzamide
CID 122162690
4-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 81225983
1-(4-fluorophenyl)-3-[4-[2-(4-methylpiperazin-1-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 66927888
1-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915331
3,5-difluoro-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]benzamide
CID 66928656
1-benzyl-N-[2-(4-methylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10547563

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide?
The IUPAC name of 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) is 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide is CN1CCN(CCNC(=O)c2cc(F)cc(Cn3ccc4cc(-c5ccnn5C)ncc4c3=O)c2)CC1.
What is the InChIKey of 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide?
The InChIKey is WDPYDIPZTDGAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O2/c1-32-9-11-34(12-10-32)8-6-29-26(36)21-13-19(14-22(28)15-21)18-35-7-4-20-16-24(25-3-5-31-33(25)2)30-17-23(20)27(35)37/h3-5,7,13-17H,6,8-12,18H2,1-2H3,(H,29,36).
What are the key properties of 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide?
3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide has a molecular weight of 503.58 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-[[6-(2-methylpyrazol-3-yl)-1-oxo-2,7-naphthyridin-2-yl]methyl]benzamide is sourced from PubChem (CID 164572306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).