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

C26H25N5O3 — CID 71565795

IUPAC[(3R)-3-[(4-methoxy-3-pyridin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ccccn1
InChIInChI=1S/C26H25N5O3/c1-33-25-10-9-19(17-22(25)23-7-4-5-11-27-23)16-20-18-34-15-14-30(20)26(32)21-6-2-3-8-24(21)31-28-12-13-29-31/h2-13,17,20H,14-16,18H2,1H3/t20-/m1/s1
InChIKeyKKEOYRYRWVSPJZ-HXUWFJFHSA-N
MW455.52 g/mol
LogP3.42
Rot. Bonds6

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

[(3R)-3-[(4-methoxy-3-pyridin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 71565795) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is [(3R)-3-[(4-methoxy-3-pyridin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[(4-methoxy-3-pyridin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID71565795
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name[(3R)-3-[(4-methoxy-3-pyridin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ccccn1
InChIInChI=1S/C26H25N5O3/c1-33-25-10-9-19(17-22(25)23-7-4-5-11-27-23)16-20-18-34-15-14-30(20)26(32)21-6-2-3-8-24(21)31-28-12-13-29-31/h2-13,17,20H,14-16,18H2,1H3/t20-/m1/s1
InChIKeyKKEOYRYRWVSPJZ-HXUWFJFHSA-N
XLogP3.42
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(4-methoxy-3-pyridin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-[(4-methoxy-3-pyridin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 71565795) is [(3R)-3-[(4-methoxy-3-pyridin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[(4-methoxy-3-pyridin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-[(4-methoxy-3-pyridin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ccccn1.
What is the InChIKey of [(3R)-3-[(4-methoxy-3-pyridin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is KKEOYRYRWVSPJZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H25N5O3/c1-33-25-10-9-19(17-22(25)23-7-4-5-11-27-23)16-20-18-34-15-14-30(20)26(32)21-6-2-3-8-24(21)31-28-12-13-29-31/h2-13,17,20H,14-16,18H2,1H3/t20-/m1/s1.
What are the key properties of [(3R)-3-[(4-methoxy-3-pyridin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(3R)-3-[(4-methoxy-3-pyridin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 455.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(4-methoxy-3-pyridin-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 71565795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).