N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide

C30H28F2N6O6 — CID 164626343

IUPACN-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H28F2N6O6/c1-18(2)37-17-23(28(40)38(30(37)42)21-6-3-19(31)4-7-21)27(39)34-20-5-8-25(24(32)15-20)44-22-9-10-33-26(16-22)35-29(41)36-11-13-43-14-12-36/h3-10,15-18H,11-14H2,1-2H3,(H,34,39)(H,33,35,41)
InChIKeyFRCWLLQJBMPIAG-UHFFFAOYSA-N
MW606.59 g/mol
LogP4.16
Rot. Bonds7

About N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide

N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide (PubChem CID 164626343) has the molecular formula C30H28F2N6O6 and a molecular weight of 606.59 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
PubChem CID164626343
Molecular FormulaC30H28F2N6O6
Molecular Weight606.59 g/mol
Exact Mass606.20
IUPAC NameN-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
SMILESCC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C30H28F2N6O6/c1-18(2)37-17-23(28(40)38(30(37)42)21-6-3-19(31)4-7-21)27(39)34-20-5-8-25(24(32)15-20)44-22-9-10-33-26(16-22)35-29(41)36-11-13-43-14-12-36/h3-10,15-18H,11-14H2,1-2H3,(H,34,39)(H,33,35,41)
InChIKeyFRCWLLQJBMPIAG-UHFFFAOYSA-N
XLogP4.16
TPSA136.79 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.59
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide with MolForge

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Related Compounds

Bms-777607
CID 24794418
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Altiratinib
CID 54576299
N-{4-[(2-amino-3-chloropyridin-4-yl)oxy]-3-fluorophenyl}-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 25218744
N-{4-[(2-amino-3-ethynylpyridin-4-yl)oxy]-3-fluorophenyl}-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 25218742
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 57
CID 5330243
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 59
CID 5330245
2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 16223106
N-{4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 25218737
N-(4-{[2-amino-3-(3-aminoprop-1-yn-1-yl)pyridin-4-yl]oxy}-3-fluorophenyl)-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 25218739
N-(4-((2-Amino-3-(hydroxymethyl)-4-pyridinyl)oxy)-3-fluorophenyl)-1-(4-fluorophenyl)-1,2-dihydro-2-oxo-3-pyridinecarboxamide
CID 25218741
Pyridoimidazolone, 5m
CID 42626268

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide (CID 164626343) is N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide is CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)N4CCOCC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide?
The InChIKey is FRCWLLQJBMPIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F2N6O6/c1-18(2)37-17-23(28(40)38(30(37)42)21-6-3-19(31)4-7-21)27(39)34-20-5-8-25(24(32)15-20)44-22-9-10-33-26(16-22)35-29(41)36-11-13-43-14-12-36/h3-10,15-18H,11-14H2,1-2H3,(H,34,39)(H,33,35,41).
What are the key properties of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide?
N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide has a molecular weight of 606.59 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carbonyl]amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide is sourced from PubChem (CID 164626343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).