[(3R)-3-[(4-methoxy-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone

C25H24N6O3 — CID 71565871

IUPAC[(3R)-3-[(4-methoxy-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncccn1
InChIInChI=1S/C25H24N6O3/c1-33-23-8-7-18(16-21(23)24-26-9-4-10-27-24)15-19-17-34-14-13-30(19)25(32)20-5-2-3-6-22(20)31-28-11-12-29-31/h2-12,16,19H,13-15,17H2,1H3/t19-/m1/s1
InChIKeyOREIPZHDUFKPTP-LJQANCHMSA-N
MW456.51 g/mol
LogP2.82
Rot. Bonds6

About [(3R)-3-[(4-methoxy-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone

[(3R)-3-[(4-methoxy-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 71565871) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is [(3R)-3-[(4-methoxy-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[(4-methoxy-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID71565871
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name[(3R)-3-[(4-methoxy-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncccn1
InChIInChI=1S/C25H24N6O3/c1-33-23-8-7-18(16-21(23)24-26-9-4-10-27-24)15-19-17-34-14-13-30(19)25(32)20-5-2-3-6-22(20)31-28-11-12-29-31/h2-12,16,19H,13-15,17H2,1H3/t19-/m1/s1
InChIKeyOREIPZHDUFKPTP-LJQANCHMSA-N
XLogP2.82
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(4-methoxy-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-[(4-methoxy-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 71565871) is [(3R)-3-[(4-methoxy-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[(4-methoxy-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-[(4-methoxy-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncccn1.
What is the InChIKey of [(3R)-3-[(4-methoxy-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is OREIPZHDUFKPTP-LJQANCHMSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-33-23-8-7-18(16-21(23)24-26-9-4-10-27-24)15-19-17-34-14-13-30(19)25(32)20-5-2-3-6-22(20)31-28-11-12-29-31/h2-12,16,19H,13-15,17H2,1H3/t19-/m1/s1.
What are the key properties of [(3R)-3-[(4-methoxy-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(3R)-3-[(4-methoxy-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 456.51 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(4-methoxy-3-pyrimidin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 71565871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).