methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate

C22H30N4O5 — CID 175234506

IUPACmethyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CCC1COc1ccc(-c2nnn(C)c2COC2CCCCO2)nc1C
InChIInChI=1S/C22H30N4O5/c1-14-19(30-12-15-7-8-16(15)22(27)28-3)10-9-17(23-14)21-18(26(2)25-24-21)13-31-20-6-4-5-11-29-20/h9-10,15-16,20H,4-8,11-13H2,1-3H3
InChIKeyQWVPBKKJZMYJOE-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.81
Rot. Bonds8

About methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate

methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate (PubChem CID 175234506) has the molecular formula C22H30N4O5 and a molecular weight of 430.51 g/mol. Its IUPAC name is methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate
PubChem CID175234506
Molecular FormulaC22H30N4O5
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC Namemethyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CCC1COc1ccc(-c2nnn(C)c2COC2CCCCO2)nc1C
InChIInChI=1S/C22H30N4O5/c1-14-19(30-12-15-7-8-16(15)22(27)28-3)10-9-17(23-14)21-18(26(2)25-24-21)13-31-20-6-4-5-11-29-20/h9-10,15-16,20H,4-8,11-13H2,1-3H3
InChIKeyQWVPBKKJZMYJOE-UHFFFAOYSA-N
XLogP2.81
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate with MolForge

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Related Compounds

cis-methyl (1S,2S)-2-[[6-[5-(chloromethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxymethyl]cyclohexane-1-carboxylate
CID 175909941
propan-2-yl 3-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxy]cyclohexane-1-carboxylate
CID 175696876
cis-methyl (1R,2R)-2-[[6-[5-(azidomethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate
CID 155423006
methyl 2-[5-[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-3-yl]acetate
CID 166105611
2-cyclohexyloxy-3-methyl-5-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrazine
CID 154936316
methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate
CID 166105493
cis-(1R,2R)-2-[[6-[5-[(6-cyclopropylpyrimidin-4-yl)oxymethyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
CID 155422939
ethyl (1S,2R,5R)-2-[[6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxy]bicyclo[3.1.0]hexane-6-carboxylate
CID 164831227
2-(furan-3-yl)-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyridine
CID 175906941
[4-(5-bromo-6-methyl-2-pyridinyl)-5-(oxan-2-yloxymethyl)triazol-1-yl]methyl-trimethylsilane
CID 175538273
4-cyclopropyl-2-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]pyrimidin-5-ol
CID 168931729
cis-(1S,2S)-2-[[6-[5-[[5-(cyclopropylmethyl)tetrazol-2-yl]methyl]-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylic acid
CID 163282775

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate?
The IUPAC name of methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate (CID 175234506) is methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate is COC(=O)C1CCC1COc1ccc(-c2nnn(C)c2COC2CCCCO2)nc1C.
What is the InChIKey of methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate?
The InChIKey is QWVPBKKJZMYJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5/c1-14-19(30-12-15-7-8-16(15)22(27)28-3)10-9-17(23-14)21-18(26(2)25-24-21)13-31-20-6-4-5-11-29-20/h9-10,15-16,20H,4-8,11-13H2,1-3H3.
What are the key properties of methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate?
methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate has a molecular weight of 430.51 g/mol, XLogP of 2.81, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-methyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxymethyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 175234506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).