4-[6-[3-(3,4-difluorophenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine

C22H23F2N5O3 — CID 156832033

IUPAC4-[6-[3-(3,4-difluorophenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine
SMILESFc1ccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCC4CCCO4)n3)n2)cc1F
InChIInChI=1S/C22H23F2N5O3/c23-17-4-3-15(12-18(17)24)19-5-6-29(27-19)21-13-20(28-7-10-30-11-8-28)25-22(26-21)32-14-16-2-1-9-31-16/h3-6,12-13,16H,1-2,7-11,14H2
InChIKeyJZKRIWSBHIRYDM-UHFFFAOYSA-N
MW443.45 g/mol
LogP3.00
Rot. Bonds6

About 4-[6-[3-(3,4-difluorophenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine

4-[6-[3-(3,4-difluorophenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine (PubChem CID 156832033) has the molecular formula C22H23F2N5O3 and a molecular weight of 443.45 g/mol. Its IUPAC name is 4-[6-[3-(3,4-difluorophenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[3-(3,4-difluorophenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine
PubChem CID156832033
Molecular FormulaC22H23F2N5O3
Molecular Weight443.45 g/mol
Exact Mass443.18
IUPAC Name4-[6-[3-(3,4-difluorophenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine
SMILESFc1ccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCC4CCCO4)n3)n2)cc1F
InChIInChI=1S/C22H23F2N5O3/c23-17-4-3-15(12-18(17)24)19-5-6-29(27-19)21-13-20(28-7-10-30-11-8-28)25-22(26-21)32-14-16-2-1-9-31-16/h3-6,12-13,16H,1-2,7-11,14H2
InChIKeyJZKRIWSBHIRYDM-UHFFFAOYSA-N
XLogP3.00
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-(3,4-difluorophenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[3-(3,4-difluorophenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine (CID 156832033) is 4-[6-[3-(3,4-difluorophenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[3-(3,4-difluorophenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[3-(3,4-difluorophenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine is Fc1ccc(-c2ccn(-c3cc(N4CCOCC4)nc(OCC4CCCO4)n3)n2)cc1F.
What is the InChIKey of 4-[6-[3-(3,4-difluorophenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine?
The InChIKey is JZKRIWSBHIRYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O3/c23-17-4-3-15(12-18(17)24)19-5-6-29(27-19)21-13-20(28-7-10-30-11-8-28)25-22(26-21)32-14-16-2-1-9-31-16/h3-6,12-13,16H,1-2,7-11,14H2.
What are the key properties of 4-[6-[3-(3,4-difluorophenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine?
4-[6-[3-(3,4-difluorophenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine has a molecular weight of 443.45 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-(3,4-difluorophenyl)pyrazol-1-yl]-2-(oxolan-2-ylmethoxy)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 156832033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).