[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone

C26H29N5O3 — CID 110150697

IUPAC[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
SMILESCc1cccc(Oc2cncc(C3CCCN(C(=O)c4ccnc(N5CCOCC5)c4)C3)n2)c1
InChIInChI=1S/C26H29N5O3/c1-19-4-2-6-22(14-19)34-25-17-27-16-23(29-25)21-5-3-9-31(18-21)26(32)20-7-8-28-24(15-20)30-10-12-33-13-11-30/h2,4,6-8,14-17,21H,3,5,9-13,18H2,1H3
InChIKeyNYSTWLZPMYINIE-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.83
Rot. Bonds5

About [3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone

[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone (PubChem CID 110150697) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is [3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
PubChem CID110150697
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC Name[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
SMILESCc1cccc(Oc2cncc(C3CCCN(C(=O)c4ccnc(N5CCOCC5)c4)C3)n2)c1
InChIInChI=1S/C26H29N5O3/c1-19-4-2-6-22(14-19)34-25-17-27-16-23(29-25)21-5-3-9-31(18-21)26(32)20-7-8-28-24(15-20)30-10-12-33-13-11-30/h2,4,6-8,14-17,21H,3,5,9-13,18H2,1H3
InChIKeyNYSTWLZPMYINIE-UHFFFAOYSA-N
XLogP3.83
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[(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-(4-methoxyphenoxy)-2-pyridinyl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
CID 110150409
[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 132767695
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125010503
[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
2-methoxy-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822523
[(3S)-3-[6-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-pyrimidin-5-yl-4-pyridinyl)methanone
CID 124982819
(2-methyl-3-morpholin-4-ylphenyl)-[(3S)-3-(6-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129457217
(4-benzyloxan-4-yl)-[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110150108
2-(methylamino)-1-[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823516

Frequently Asked Questions

What is the IUPAC name of [3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone?
The IUPAC name of [3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone (CID 110150697) is [3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone.
What is the SMILES notation for [3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone?
The canonical SMILES for [3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone is Cc1cccc(Oc2cncc(C3CCCN(C(=O)c4ccnc(N5CCOCC5)c4)C3)n2)c1.
What is the InChIKey of [3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone?
The InChIKey is NYSTWLZPMYINIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-19-4-2-6-22(14-19)34-25-17-27-16-23(29-25)21-5-3-9-31(18-21)26(32)20-7-8-28-24(15-20)30-10-12-33-13-11-30/h2,4,6-8,14-17,21H,3,5,9-13,18H2,1H3.
What are the key properties of [3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone?
[3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone has a molecular weight of 459.55 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone is sourced from PubChem (CID 110150697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).