4-[2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethyl]morpholine

C25H25N5O2 — CID 11604319

IUPAC4-[2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethyl]morpholine
SMILESc1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(OCCN4CCOCC4)cc3)c2)nc1
InChIInChI=1S/C25H25N5O2/c1-2-9-26-23(3-1)25-22(18-28-29-25)20-8-10-27-24(17-20)19-4-6-21(7-5-19)32-16-13-30-11-14-31-15-12-30/h1-10,17-18H,11-16H2,(H,28,29)
InChIKeyUJVHDGDGHUBCNG-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.91
Rot. Bonds7

About 4-[2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethyl]morpholine

4-[2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethyl]morpholine (PubChem CID 11604319) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 4-[2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethyl]morpholine
PubChem CID11604319
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name4-[2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethyl]morpholine
SMILESc1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(OCCN4CCOCC4)cc3)c2)nc1
InChIInChI=1S/C25H25N5O2/c1-2-9-26-23(3-1)25-22(18-28-29-25)20-8-10-27-24(17-20)19-4-6-21(7-5-19)32-16-13-30-11-14-31-15-12-30/h1-10,17-18H,11-16H2,(H,28,29)
InChIKeyUJVHDGDGHUBCNG-UHFFFAOYSA-N
XLogP3.91
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethyl]morpholine (CID 11604319) is 4-[2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethyl]morpholine is c1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(OCCN4CCOCC4)cc3)c2)nc1.
What is the InChIKey of 4-[2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethyl]morpholine?
The InChIKey is UJVHDGDGHUBCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-2-9-26-23(3-1)25-22(18-28-29-25)20-8-10-27-24(17-20)19-4-6-21(7-5-19)32-16-13-30-11-14-31-15-12-30/h1-10,17-18H,11-16H2,(H,28,29).
What are the key properties of 4-[2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethyl]morpholine?
4-[2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethyl]morpholine has a molecular weight of 427.51 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenoxy]ethyl]morpholine is sourced from PubChem (CID 11604319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).