[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone

C26H27N5O2 — CID 166104821

IUPAC[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone
SMILESCc1ccccc1OCC1CCCN(C(=O)c2cnc3nc(-c4ccccc4)n(C)c3n2)C1
InChIInChI=1S/C26H27N5O2/c1-18-9-6-7-13-22(18)33-17-19-10-8-14-31(16-19)26(32)21-15-27-23-25(28-21)30(2)24(29-23)20-11-4-3-5-12-20/h3-7,9,11-13,15,19H,8,10,14,16-17H2,1-2H3
InChIKeyUXWCQIVBQIFHRB-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.27
Rot. Bonds5

About [3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone

[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone (PubChem CID 166104821) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is [3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone.

Molecular Properties

Compound Name[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone
PubChem CID166104821
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone
SMILESCc1ccccc1OCC1CCCN(C(=O)c2cnc3nc(-c4ccccc4)n(C)c3n2)C1
InChIInChI=1S/C26H27N5O2/c1-18-9-6-7-13-22(18)33-17-19-10-8-14-31(16-19)26(32)21-15-27-23-25(28-21)30(2)24(29-23)20-11-4-3-5-12-20/h3-7,9,11-13,15,19H,8,10,14,16-17H2,1-2H3
InChIKeyUXWCQIVBQIFHRB-UHFFFAOYSA-N
XLogP4.27
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 124809448
(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 166104978
2-chloro-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]ethanone
CID 162679482
2,2-dimethyl-1-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 110638458
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 25373858
[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methanone;hydrochloride
CID 154889232
(4-methoxy-2,8-dimethyl-9-phenyl-6,8-diazatricyclo[5.3.0.01,3]deca-4,6,9-trien-10-yl)-[3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 166104980
[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 51586958
[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methanone
CID 46972140
[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]methanone
CID 51586936
[6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 166104437
3-[(2-methylphenoxy)methyl]-N-(3-methyl-1,2,4-thiadiazol-5-yl)piperidine-1-carboxamide
CID 46991912

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone?
The IUPAC name of [3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone (CID 166104821) is [3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone.
What is the SMILES notation for [3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone?
The canonical SMILES for [3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone is Cc1ccccc1OCC1CCCN(C(=O)c2cnc3nc(-c4ccccc4)n(C)c3n2)C1.
What is the InChIKey of [3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone?
The InChIKey is UXWCQIVBQIFHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18-9-6-7-13-22(18)33-17-19-10-8-14-31(16-19)26(32)21-15-27-23-25(28-21)30(2)24(29-23)20-11-4-3-5-12-20/h3-7,9,11-13,15,19H,8,10,14,16-17H2,1-2H3.
What are the key properties of [3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone?
[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone has a molecular weight of 441.54 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone is sourced from PubChem (CID 166104821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).