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

C23H19FN6O3 — CID 70497074

IUPAC1-(3-cyanophenyl)-3-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]urea
SMILESCCN1Cc2c(Oc3ccc(NC(=O)Nc4cccc(C#N)c4)cc3F)ccnc2NC1=O
InChIInChI=1S/C23H19FN6O3/c1-2-30-13-17-19(8-9-26-21(17)29-23(30)32)33-20-7-6-16(11-18(20)24)28-22(31)27-15-5-3-4-14(10-15)12-25/h3-11H,2,13H2,1H3,(H,26,29,32)(H2,27,28,31)
InChIKeyZYDSFYUXVZPKNX-UHFFFAOYSA-N
MW446.44 g/mol
LogP4.90
Rot. Bonds5

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

1-(3-cyanophenyl)-3-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]urea (PubChem CID 70497074) has the molecular formula C23H19FN6O3 and a molecular weight of 446.44 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]urea
PubChem CID70497074
Molecular FormulaC23H19FN6O3
Molecular Weight446.44 g/mol
Exact Mass446.15
IUPAC Name1-(3-cyanophenyl)-3-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]urea
SMILESCCN1Cc2c(Oc3ccc(NC(=O)Nc4cccc(C#N)c4)cc3F)ccnc2NC1=O
InChIInChI=1S/C23H19FN6O3/c1-2-30-13-17-19(8-9-26-21(17)29-23(30)32)33-20-7-6-16(11-18(20)24)28-22(31)27-15-5-3-4-14(10-15)12-25/h3-11H,2,13H2,1H3,(H,26,29,32)(H2,27,28,31)
InChIKeyZYDSFYUXVZPKNX-UHFFFAOYSA-N
XLogP4.90
TPSA119.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]urea?
The IUPAC name of 1-(3-cyanophenyl)-3-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]urea (CID 70497074) is 1-(3-cyanophenyl)-3-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]urea is CCN1Cc2c(Oc3ccc(NC(=O)Nc4cccc(C#N)c4)cc3F)ccnc2NC1=O.
What is the InChIKey of 1-(3-cyanophenyl)-3-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]urea?
The InChIKey is ZYDSFYUXVZPKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O3/c1-2-30-13-17-19(8-9-26-21(17)29-23(30)32)33-20-7-6-16(11-18(20)24)28-22(31)27-15-5-3-4-14(10-15)12-25/h3-11H,2,13H2,1H3,(H,26,29,32)(H2,27,28,31).
What are the key properties of 1-(3-cyanophenyl)-3-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]urea?
1-(3-cyanophenyl)-3-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]urea has a molecular weight of 446.44 g/mol, XLogP of 4.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-[4-[(3-ethyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)oxy]-3-fluorophenyl]urea is sourced from PubChem (CID 70497074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).