4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide

C35H34FN7O6 — CID 156871685

IUPAC4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide
SMILESCC(CO)n1cc(C(=O)Nc2ccc(Oc3ccnc4cnc(C(=O)NC5CCN(C)CC5)cc34)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C35H34FN7O6/c1-21(20-44)42-19-28(34(47)43(35(42)48)25-7-3-22(36)4-8-25)32(45)39-23-5-9-26(10-6-23)49-31-11-14-37-30-18-38-29(17-27(30)31)33(46)40-24-12-15-41(2)16-13-24/h3-11,14,17-19,21,24,44H,12-13,15-16,20H2,1-2H3,(H,39,45)(H,40,46)
InChIKeyBYIJXIVYGNVOBD-UHFFFAOYSA-N
MW667.70 g/mol
LogP3.50
Rot. Bonds9

About 4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide

4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide (PubChem CID 156871685) has the molecular formula C35H34FN7O6 and a molecular weight of 667.70 g/mol. Its IUPAC name is 4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide
PubChem CID156871685
Molecular FormulaC35H34FN7O6
Molecular Weight667.70 g/mol
Exact Mass667.26
IUPAC Name4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide
SMILESCC(CO)n1cc(C(=O)Nc2ccc(Oc3ccnc4cnc(C(=O)NC5CCN(C)CC5)cc34)cc2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C35H34FN7O6/c1-21(20-44)42-19-28(34(47)43(35(42)48)25-7-3-22(36)4-8-25)32(45)39-23-5-9-26(10-6-23)49-31-11-14-37-30-18-38-29(17-27(30)31)33(46)40-24-12-15-41(2)16-13-24/h3-11,14,17-19,21,24,44H,12-13,15-16,20H2,1-2H3,(H,39,45)(H,40,46)
InChIKeyBYIJXIVYGNVOBD-UHFFFAOYSA-N
XLogP3.50
TPSA160.68 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.70
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide with MolForge

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Related Compounds

4-[[6-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]-3-pyridinyl]oxy]-N-[(1-methylpiperidin-3-yl)methyl]-1,7-naphthyridine-6-carboxamide
CID 156871758
4-[4-[(5-ethyl-1-methyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide
CID 166779782
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-(4-fluorophenyl)-1-(2-hydroxyethyl)-2,4-dioxopyrimidine-5-carboxamide
CID 90452624
1-ethyl-3-(4-fluorophenyl)-2,4-dioxo-N-[4-[(6-piperazin-1-yl-1,7-naphthyridin-4-yl)oxy]phenyl]pyrimidine-5-carboxamide;vanadium
CID 156871697
1-(4-fluorophenyl)-N-[4-[[6-(4-methylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide
CID 156871742
4-[[6-[[1-(4-fluorophenyl)-2-oxo-5-propan-2-ylpyridine-3-carbonyl]amino]-3-pyridinyl]oxy]-N-piperidin-4-yl-1,7-naphthyridine-6-carboxamide
CID 156871690
N-[4-(5,6-dimethoxyquinolin-4-yl)oxyphenyl]-1-ethyl-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 90452722
N-[4-[[6-(4-ethylpiperazin-1-yl)-1,7-naphthyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
CID 156871849
1-(4-fluorophenyl)-N-[5-[[6-(1-methylpiperidin-4-yl)oxy-1,7-naphthyridin-4-yl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide
CID 156871776
N-[4-[[2-amino-3-[2-(1-methylpiperidin-4-yl)ethynyl]-4-pyridinyl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 169150212
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-3-(4-fluorophenyl)-1-(2-methylpropyl)-2,4-dioxopyrimidine-5-carboxamide
CID 90452587
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-[1-(dimethylamino)-1,3-dioxobutan-2-yl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 90452655

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide?
The IUPAC name of 4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide (CID 156871685) is 4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for 4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for 4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide is CC(CO)n1cc(C(=O)Nc2ccc(Oc3ccnc4cnc(C(=O)NC5CCN(C)CC5)cc34)cc2)c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide?
The InChIKey is BYIJXIVYGNVOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34FN7O6/c1-21(20-44)42-19-28(34(47)43(35(42)48)25-7-3-22(36)4-8-25)32(45)39-23-5-9-26(10-6-23)49-31-11-14-37-30-18-38-29(17-27(30)31)33(46)40-24-12-15-41(2)16-13-24/h3-11,14,17-19,21,24,44H,12-13,15-16,20H2,1-2H3,(H,39,45)(H,40,46).
What are the key properties of 4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide?
4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide has a molecular weight of 667.70 g/mol, XLogP of 3.50, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-(4-fluorophenyl)-1-(1-hydroxypropan-2-yl)-2,4-dioxopyrimidine-5-carbonyl]amino]phenoxy]-N-(1-methylpiperidin-4-yl)-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 156871685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).