1-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-3-phenylurea

C22H20FN5O3 — CID 70498366

IUPAC1-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-3-phenylurea
SMILESCCN1Cc2c(Oc3ccc(NC(=O)Nc4ccccc4)cc3F)ccnc2NC1=O
InChIInChI=1S/C22H20FN5O3/c1-2-28-13-16-18(10-11-24-20(16)27-22(28)30)31-19-9-8-15(12-17(19)23)26-21(29)25-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,24,27,30)(H2,25,26,29)
InChIKeyHWGRIDDNVNUFFB-UHFFFAOYSA-N
MW421.43 g/mol
LogP5.02
Rot. Bonds5

About 1-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-3-phenylurea

1-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-3-phenylurea (PubChem CID 70498366) has the molecular formula C22H20FN5O3 and a molecular weight of 421.43 g/mol. Its IUPAC name is 1-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-3-phenylurea
PubChem CID70498366
Molecular FormulaC22H20FN5O3
Molecular Weight421.43 g/mol
Exact Mass421.16
IUPAC Name1-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-3-phenylurea
SMILESCCN1Cc2c(Oc3ccc(NC(=O)Nc4ccccc4)cc3F)ccnc2NC1=O
InChIInChI=1S/C22H20FN5O3/c1-2-28-13-16-18(10-11-24-20(16)27-22(28)30)31-19-9-8-15(12-17(19)23)26-21(29)25-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,24,27,30)(H2,25,26,29)
InChIKeyHWGRIDDNVNUFFB-UHFFFAOYSA-N
XLogP5.02
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.43
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-3-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]urea
CID 70498080
1-(3-cyanophenyl)-3-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]urea
CID 70497074
5-(4-anilinophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 66926236
N-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-4-nitrobenzenesulfonamide
CID 66926426
5-(3-chlorophenoxy)-3-ethyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 70498650
1-(3,4-difluorophenyl)-3-[4-[[3-[(4-methoxyphenyl)methyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl]amino]phenyl]urea
CID 70498846
N-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)amino]-3-fluorophenyl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 50917985
5-[2-fluoro-4-[2-[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]-2-oxoethyl]phenoxy]-3-[(4-methoxyphenyl)methyl]-1,4-dihydropyrido[2,3-d]pyrimidin-2-one
CID 158940792
1-N'-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 46203260
(2E)-N-(4-fluorophenyl)-N'-[3-fluoro-4-[(2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2-[1-(methylamino)ethylidene]propanediamide
CID 143976012
1-N'-[3-fluoro-4-[6-methoxy-7-[3-(1-methylcyclopropyl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 71106026
1-ethyl-N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 58268648

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-3-phenylurea?
The IUPAC name of 1-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-3-phenylurea (CID 70498366) is 1-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-3-phenylurea is CCN1Cc2c(Oc3ccc(NC(=O)Nc4ccccc4)cc3F)ccnc2NC1=O.
What is the InChIKey of 1-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-3-phenylurea?
The InChIKey is HWGRIDDNVNUFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O3/c1-2-28-13-16-18(10-11-24-20(16)27-22(28)30)31-19-9-8-15(12-17(19)23)26-21(29)25-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,24,27,30)(H2,25,26,29).
What are the key properties of 1-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-3-phenylurea?
1-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-3-phenylurea has a molecular weight of 421.43 g/mol, XLogP of 5.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]-3-phenylurea is sourced from PubChem (CID 70498366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).