2-ethyl-5-[2-(2-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one

C25H23F2N5O3 — CID 10127967

IUPAC2-ethyl-5-[2-(2-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one
SMILESCCn1c(=O)c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3F)n2)n1N1CCOCC1
InChIInChI=1S/C25H23F2N5O3/c1-2-31-24(33)22(17-7-9-18(26)10-8-17)23(32(31)30-13-15-34-16-14-30)20-11-12-28-25(29-20)35-21-6-4-3-5-19(21)27/h3-12H,2,13-16H2,1H3
InChIKeyFJLPGRVGPICHKF-UHFFFAOYSA-N
MW479.49 g/mol
LogP3.83
Rot. Bonds6

About 2-ethyl-5-[2-(2-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one

2-ethyl-5-[2-(2-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one (PubChem CID 10127967) has the molecular formula C25H23F2N5O3 and a molecular weight of 479.49 g/mol. Its IUPAC name is 2-ethyl-5-[2-(2-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one.

Molecular Properties

Compound Name2-ethyl-5-[2-(2-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one
PubChem CID10127967
Molecular FormulaC25H23F2N5O3
Molecular Weight479.49 g/mol
Exact Mass479.18
IUPAC Name2-ethyl-5-[2-(2-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one
SMILESCCn1c(=O)c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3F)n2)n1N1CCOCC1
InChIInChI=1S/C25H23F2N5O3/c1-2-31-24(33)22(17-7-9-18(26)10-8-17)23(32(31)30-13-15-34-16-14-30)20-11-12-28-25(29-20)35-21-6-4-3-5-19(21)27/h3-12H,2,13-16H2,1H3
InChIKeyFJLPGRVGPICHKF-UHFFFAOYSA-N
XLogP3.83
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[2-(2-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one?
The IUPAC name of 2-ethyl-5-[2-(2-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one (CID 10127967) is 2-ethyl-5-[2-(2-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one.
What is the SMILES notation for 2-ethyl-5-[2-(2-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one?
The canonical SMILES for 2-ethyl-5-[2-(2-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one is CCn1c(=O)c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3F)n2)n1N1CCOCC1.
What is the InChIKey of 2-ethyl-5-[2-(2-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one?
The InChIKey is FJLPGRVGPICHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O3/c1-2-31-24(33)22(17-7-9-18(26)10-8-17)23(32(31)30-13-15-34-16-14-30)20-11-12-28-25(29-20)35-21-6-4-3-5-19(21)27/h3-12H,2,13-16H2,1H3.
What are the key properties of 2-ethyl-5-[2-(2-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one?
2-ethyl-5-[2-(2-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one has a molecular weight of 479.49 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[2-(2-fluorophenoxy)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-morpholin-4-ylpyrazol-3-one is sourced from PubChem (CID 10127967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).