4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine

C23H23N5O — CID 131673601

IUPAC4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine
SMILESCc1cccc(CN2CCOC(c3nnn4cc(-c5ccccc5)ccc34)C2)n1
InChIInChI=1S/C23H23N5O/c1-17-6-5-9-20(24-17)15-27-12-13-29-22(16-27)23-21-11-10-19(14-28(21)26-25-23)18-7-3-2-4-8-18/h2-11,14,22H,12-13,15-16H2,1H3
InChIKeySQOSNPRMTWUMNQ-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.67
Rot. Bonds4

About 4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine

4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine (PubChem CID 131673601) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine.

Molecular Properties

Compound Name4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine
PubChem CID131673601
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine
SMILESCc1cccc(CN2CCOC(c3nnn4cc(-c5ccccc5)ccc34)C2)n1
InChIInChI=1S/C23H23N5O/c1-17-6-5-9-20(24-17)15-27-12-13-29-22(16-27)23-21-11-10-19(14-28(21)26-25-23)18-7-3-2-4-8-18/h2-11,14,22H,12-13,15-16H2,1H3
InChIKeySQOSNPRMTWUMNQ-UHFFFAOYSA-N
XLogP3.67
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(4-methylphenyl)triazolo[1,5-a]pyridin-3-yl]-4-[(6-methyl-2-pyridinyl)methyl]morpholine
CID 131671017
2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)-4-(pyridin-2-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155834497
4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine
CID 131673621
4-(furan-3-ylmethyl)-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine;2,2,2-trifluoroacetic acid
CID 155831144
4-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine
CID 131673620
4-(furan-2-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine
CID 131673641
2-[6-(4-methylphenyl)triazolo[1,5-a]pyridin-3-yl]-4-(1,3-thiazol-2-ylmethyl)morpholine;2,2,2-trifluoroacetic acid
CID 155825790
4-(pyridin-3-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;tris(2,2,2-trifluoroacetic acid)
CID 155825843
4-(furan-3-ylmethyl)-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine;2,2,2-trifluoroacetic acid
CID 155850841
4-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylmorpholine
CID 110103190
N-methyl-6-[(2R)-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]pyridin-2-amine
CID 124972365
4-(1,3-benzodioxol-5-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155830800

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine?
The IUPAC name of 4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine (CID 131673601) is 4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine.
What is the SMILES notation for 4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine?
The canonical SMILES for 4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine is Cc1cccc(CN2CCOC(c3nnn4cc(-c5ccccc5)ccc34)C2)n1.
What is the InChIKey of 4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine?
The InChIKey is SQOSNPRMTWUMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-17-6-5-9-20(24-17)15-27-12-13-29-22(16-27)23-21-11-10-19(14-28(21)26-25-23)18-7-3-2-4-8-18/h2-11,14,22H,12-13,15-16H2,1H3.
What are the key properties of 4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine?
4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine has a molecular weight of 385.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-2-pyridinyl)methyl]-2-(6-phenyltriazolo[1,5-a]pyridin-3-yl)morpholine is sourced from PubChem (CID 131673601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).