[(2R,5R)-5-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C22H25N5O3 — CID 46205522

IUPAC[(2R,5R)-5-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ncccc3C)OC[C@H]2C)c1
InChIInChI=1S/C22H25N5O3/c1-15-6-7-20(27-24-9-10-25-27)19(11-15)22(28)26-12-18(29-13-17(26)3)14-30-21-16(2)5-4-8-23-21/h4-11,17-18H,12-14H2,1-3H3/t17-,18-/m1/s1
InChIKeyKQIRIHYIACIXAE-QZTJIDSGSA-N
MW407.47 g/mol
LogP2.59
Rot. Bonds5

About [(2R,5R)-5-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone

[(2R,5R)-5-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 46205522) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is [(2R,5R)-5-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-5-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID46205522
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name[(2R,5R)-5-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ncccc3C)OC[C@H]2C)c1
InChIInChI=1S/C22H25N5O3/c1-15-6-7-20(27-24-9-10-25-27)19(11-15)22(28)26-12-18(29-13-17(26)3)14-30-21-16(2)5-4-8-23-21/h4-11,17-18H,12-14H2,1-3H3/t17-,18-/m1/s1
InChIKeyKQIRIHYIACIXAE-QZTJIDSGSA-N
XLogP2.59
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-5-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R,5R)-5-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 46205522) is [(2R,5R)-5-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-5-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-5-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ncccc3C)OC[C@H]2C)c1.
What is the InChIKey of [(2R,5R)-5-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is KQIRIHYIACIXAE-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-15-6-7-20(27-24-9-10-25-27)19(11-15)22(28)26-12-18(29-13-17(26)3)14-30-21-16(2)5-4-8-23-21/h4-11,17-18H,12-14H2,1-3H3/t17-,18-/m1/s1.
What are the key properties of [(2R,5R)-5-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
[(2R,5R)-5-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 407.47 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-5-methyl-2-[(3-methyl-2-pyridinyl)oxymethyl]morpholin-4-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 46205522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).