[4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone

C26H24N6O3 — CID 110151630

IUPAC[4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
SMILESCOc1cccc(Oc2nccnc2C2CCN(C(=O)c3ccc(-c4cncnc4)nc3)CC2)c1
InChIInChI=1S/C26H24N6O3/c1-34-21-3-2-4-22(13-21)35-25-24(29-9-10-30-25)18-7-11-32(12-8-18)26(33)19-5-6-23(31-16-19)20-14-27-17-28-15-20/h2-6,9-10,13-18H,7-8,11-12H2,1H3
InChIKeyQVCAXMWGRKHISP-UHFFFAOYSA-N
MW468.52 g/mol
LogP4.15
Rot. Bonds6

About [4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone

[4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone (PubChem CID 110151630) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is [4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
PubChem CID110151630
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name[4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
SMILESCOc1cccc(Oc2nccnc2C2CCN(C(=O)c3ccc(-c4cncnc4)nc3)CC2)c1
InChIInChI=1S/C26H24N6O3/c1-34-21-3-2-4-22(13-21)35-25-24(29-9-10-30-25)18-7-11-32(12-8-18)26(33)19-5-6-23(31-16-19)20-14-27-17-28-15-20/h2-6,9-10,13-18H,7-8,11-12H2,1H3
InChIKeyQVCAXMWGRKHISP-UHFFFAOYSA-N
XLogP4.15
TPSA103.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 110151938
[(3R)-3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone
CID 125002633
[4-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822283
[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 129458305
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110091053
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822299
[(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(5-pyrimidin-5-yl-3-pyridinyl)methanone
CID 124987464
[(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone
CID 124982819
[6-(3-methoxyphenyl)-3-pyridinyl]-(4-phenylazepan-1-yl)methanone
CID 56864623
1-[(3R)-3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95822132
1-[(3S)-3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95822131

Frequently Asked Questions

What is the IUPAC name of [4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The IUPAC name of [4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone (CID 110151630) is [4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone.
What is the SMILES notation for [4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The canonical SMILES for [4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone is COc1cccc(Oc2nccnc2C2CCN(C(=O)c3ccc(-c4cncnc4)nc3)CC2)c1.
What is the InChIKey of [4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
The InChIKey is QVCAXMWGRKHISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-34-21-3-2-4-22(13-21)35-25-24(29-9-10-30-25)18-7-11-32(12-8-18)26(33)19-5-6-23(31-16-19)20-14-27-17-28-15-20/h2-6,9-10,13-18H,7-8,11-12H2,1H3.
What are the key properties of [4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone?
[4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone has a molecular weight of 468.52 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrimidin-5-yl-3-pyridinyl)methanone is sourced from PubChem (CID 110151630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).