4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C25H26N6O — CID 168921732

IUPAC4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1ccc(C2CCN2Cc2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)cc1
InChIInChI=1S/C25H26N6O/c1-2-4-20(5-3-1)23-8-11-30(23)18-21-16-25(29-12-14-32-15-13-29)31-24(27-21)17-22(28-31)19-6-9-26-10-7-19/h1-7,9-10,16-17,23H,8,11-15,18H2
InChIKeyVLXIUYPSEIHMBZ-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.57
Rot. Bonds5

About 4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 168921732) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID168921732
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1ccc(C2CCN2Cc2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)cc1
InChIInChI=1S/C25H26N6O/c1-2-4-20(5-3-1)23-8-11-30(23)18-21-16-25(29-12-14-32-15-13-29)31-24(27-21)17-22(28-31)19-6-9-26-10-7-19/h1-7,9-10,16-17,23H,8,11-15,18H2
InChIKeyVLXIUYPSEIHMBZ-UHFFFAOYSA-N
XLogP3.57
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one
CID 168921735
4-[5-(1-phenylpyrazol-3-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266677
1-(2-methylphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58531005
2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one
CID 162379298
4-[5-(5-phenyl-1,5-dihydropyrazol-2-yl)-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 166663470
1-benzothiophen-2-ylmethyl-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123640264
1-methyl-2-(4-morpholin-4-yl-7-pyridin-4-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl)hydrazine
CID 167204673
4-[5-[1-(3-methylphenyl)pyrazol-3-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 163266558
4-[5-[2-(3-fluorophenyl)pyrimidin-4-yl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 168922123
benzyl-(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)diazene
CID 123256118
1-(3-methoxyphenyl)-N-[(7-morpholin-4-yl-2-phenylpyrazolo[1,5-a]pyrimidin-5-yl)methyl]methanimine
CID 58531133
2-(3-fluorophenyl)-5-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-1H-pyrazol-3-one
CID 168921744

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 168921732) is 4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is c1ccc(C2CCN2Cc2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)cc1.
What is the InChIKey of 4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is VLXIUYPSEIHMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-2-4-20(5-3-1)23-8-11-30(23)18-21-16-25(29-12-14-32-15-13-29)31-24(27-21)17-22(28-31)19-6-9-26-10-7-19/h1-7,9-10,16-17,23H,8,11-15,18H2.
What are the key properties of 4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 426.52 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(2-phenylazetidin-1-yl)methyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 168921732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).