4-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine

C25H21F2N5OS — CID 172758821

IUPAC4-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc(C2=NN(c3nc(N4CCOCC4)c4sccc4n3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C25H21F2N5OS/c26-18-5-1-16(2-6-18)21-15-22(17-3-7-19(27)8-4-17)32(30-21)25-28-20-9-14-34-23(20)24(29-25)31-10-12-33-13-11-31/h1-9,14,22H,10-13,15H2
InChIKeyLKBJZPQARBRYBU-UHFFFAOYSA-N
MW477.54 g/mol
LogP5.16
Rot. Bonds4

About 4-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine

4-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine (PubChem CID 172758821) has the molecular formula C25H21F2N5OS and a molecular weight of 477.54 g/mol. Its IUPAC name is 4-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine
PubChem CID172758821
Molecular FormulaC25H21F2N5OS
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC Name4-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine
SMILESFc1ccc(C2=NN(c3nc(N4CCOCC4)c4sccc4n3)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C25H21F2N5OS/c26-18-5-1-16(2-6-18)21-15-22(17-3-7-19(27)8-4-17)32(30-21)25-28-20-9-14-34-23(20)24(29-25)31-10-12-33-13-11-31/h1-9,14,22H,10-13,15H2
InChIKeyLKBJZPQARBRYBU-UHFFFAOYSA-N
XLogP5.16
TPSA53.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.54
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine (CID 172758821) is 4-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine is Fc1ccc(C2=NN(c3nc(N4CCOCC4)c4sccc4n3)C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 4-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
The InChIKey is LKBJZPQARBRYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5OS/c26-18-5-1-16(2-6-18)21-15-22(17-3-7-19(27)8-4-17)32(30-21)25-28-20-9-14-34-23(20)24(29-25)31-10-12-33-13-11-31/h1-9,14,22H,10-13,15H2.
What are the key properties of 4-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine?
4-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine has a molecular weight of 477.54 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3,5-bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]thieno[3,2-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 172758821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).