[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone

C25H24N6O3 — CID 129455824

IUPAC[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESCOc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4cccc(-n5cnnc5)c4)C3)n2)c1
InChIInChI=1S/C25H24N6O3/c1-33-21-8-3-9-22(12-21)34-24-14-26-13-23(29-24)19-6-4-10-30(15-19)25(32)18-5-2-7-20(11-18)31-16-27-28-17-31/h2-3,5,7-9,11-14,16-17,19H,4,6,10,15H2,1H3/t19-/m1/s1
InChIKeyJPKNUTQYKPDHSJ-LJQANCHMSA-N
MW456.51 g/mol
LogP3.88
Rot. Bonds6

About [(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone

[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone (PubChem CID 129455824) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is [(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
PubChem CID129455824
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESCOc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4cccc(-n5cnnc5)c4)C3)n2)c1
InChIInChI=1S/C25H24N6O3/c1-33-21-8-3-9-22(12-21)34-24-14-26-13-23(29-24)19-6-4-10-30(15-19)25(32)18-5-2-7-20(11-18)31-16-27-28-17-31/h2-3,5,7-9,11-14,16-17,19H,4,6,10,15H2,1H3/t19-/m1/s1
InChIKeyJPKNUTQYKPDHSJ-LJQANCHMSA-N
XLogP3.88
TPSA95.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone with MolForge

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Related Compounds

[(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone
CID 124982819
1-[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821938
[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124975077
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110091051
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822301
[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822300
[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110256743
2-[3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 110256243
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293
[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 132767695
[3-(imidazol-1-ylmethyl)phenyl]-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 129457810
2-methoxy-1-[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822522

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone (CID 129455824) is [(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone is COc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)c4cccc(-n5cnnc5)c4)C3)n2)c1.
What is the InChIKey of [(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
The InChIKey is JPKNUTQYKPDHSJ-LJQANCHMSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-33-21-8-3-9-22(12-21)34-24-14-26-13-23(29-24)19-6-4-10-30(15-19)25(32)18-5-2-7-20(11-18)31-16-27-28-17-31/h2-3,5,7-9,11-14,16-17,19H,4,6,10,15H2,1H3/t19-/m1/s1.
What are the key properties of [(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
[(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone has a molecular weight of 456.51 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone is sourced from PubChem (CID 129455824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).