4-[5-(2-benzyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C27H24N6O — CID 168922175

IUPAC4-[5-(2-benzyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1ccc(Cc2ncccc2-c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)cc1
InChIInChI=1S/C27H24N6O/c1-2-5-20(6-3-1)17-24-22(7-4-10-29-24)25-19-27(32-13-15-34-16-14-32)33-26(30-25)18-23(31-33)21-8-11-28-12-9-21/h1-12,18-19H,13-17H2
InChIKeyIYRHOFYXOWJUNU-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.28
Rot. Bonds5

About 4-[5-(2-benzyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-(2-benzyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 168922175) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-[5-(2-benzyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-(2-benzyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID168922175
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC Name4-[5-(2-benzyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESc1ccc(Cc2ncccc2-c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)cc1
InChIInChI=1S/C27H24N6O/c1-2-5-20(6-3-1)17-24-22(7-4-10-29-24)25-19-27(32-13-15-34-16-14-32)33-26(30-25)18-23(31-33)21-8-11-28-12-9-21/h1-12,18-19H,13-17H2
InChIKeyIYRHOFYXOWJUNU-UHFFFAOYSA-N
XLogP4.28
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-benzyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-(2-benzyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 168922175) is 4-[5-(2-benzyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-(2-benzyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-(2-benzyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is c1ccc(Cc2ncccc2-c2cc(N3CCOCC3)n3nc(-c4ccncc4)cc3n2)cc1.
What is the InChIKey of 4-[5-(2-benzyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is IYRHOFYXOWJUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c1-2-5-20(6-3-1)17-24-22(7-4-10-29-24)25-19-27(32-13-15-34-16-14-32)33-26(30-25)18-23(31-33)21-8-11-28-12-9-21/h1-12,18-19H,13-17H2.
What are the key properties of 4-[5-(2-benzyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-(2-benzyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 448.53 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-benzyl-3-pyridinyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 168922175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).