4-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]morpholine

C25H25N5O — CID 58612156

IUPAC4-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]morpholine
SMILESCc1cccc(-c2[nH]ncc2-c2ccnc(-c3ccc(CN4CCOCC4)cc3)c2)n1
InChIInChI=1S/C25H25N5O/c1-18-3-2-4-23(28-18)25-22(16-27-29-25)21-9-10-26-24(15-21)20-7-5-19(6-8-20)17-30-11-13-31-14-12-30/h2-10,15-16H,11-14,17H2,1H3,(H,27,29)
InChIKeyVJJXFFACAZAFOV-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.34
Rot. Bonds5

About 4-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]morpholine

4-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]morpholine (PubChem CID 58612156) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is 4-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]morpholine
PubChem CID58612156
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name4-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]morpholine
SMILESCc1cccc(-c2[nH]ncc2-c2ccnc(-c3ccc(CN4CCOCC4)cc3)c2)n1
InChIInChI=1S/C25H25N5O/c1-18-3-2-4-23(28-18)25-22(16-27-29-25)21-9-10-26-24(15-21)20-7-5-19(6-8-20)17-30-11-13-31-14-12-30/h2-10,15-16H,11-14,17H2,1H3,(H,27,29)
InChIKeyVJJXFFACAZAFOV-UHFFFAOYSA-N
XLogP4.34
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]morpholine (CID 58612156) is 4-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]morpholine is Cc1cccc(-c2[nH]ncc2-c2ccnc(-c3ccc(CN4CCOCC4)cc3)c2)n1.
What is the InChIKey of 4-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]morpholine?
The InChIKey is VJJXFFACAZAFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-18-3-2-4-23(28-18)25-22(16-27-29-25)21-9-10-26-24(15-21)20-7-5-19(6-8-20)17-30-11-13-31-14-12-30/h2-10,15-16H,11-14,17H2,1H3,(H,27,29).
What are the key properties of 4-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]morpholine?
4-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]morpholine has a molecular weight of 411.51 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-2-pyridinyl]phenyl]methyl]morpholine is sourced from PubChem (CID 58612156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).