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

C27H32N6O2 — CID 110150215

IUPAC[4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
SMILESCc1ccccc1Oc1nccnc1C1CCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C27H32N6O2/c1-20-5-3-4-6-23(20)35-26-25(29-11-12-30-26)21-8-13-33(14-9-21)27(34)22-7-10-28-24(19-22)32-17-15-31(2)16-18-32/h3-7,10-12,19,21H,8-9,13-18H2,1-2H3
InChIKeyLRRYWSNQOJQZMC-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.74
Rot. Bonds5

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

[4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone (PubChem CID 110150215) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is [4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
PubChem CID110150215
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name[4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
SMILESCc1ccccc1Oc1nccnc1C1CCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C27H32N6O2/c1-20-5-3-4-6-23(20)35-26-25(29-11-12-30-26)21-8-13-33(14-9-21)27(34)22-7-10-28-24(19-22)32-17-15-31(2)16-18-32/h3-7,10-12,19,21H,8-9,13-18H2,1-2H3
InChIKeyLRRYWSNQOJQZMC-UHFFFAOYSA-N
XLogP3.74
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110256626
2-[4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 95828024
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 129458305
3-[1-[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]piperidin-4-yl]-1,3-dihydroindol-2-one
CID 154806869
(2-morpholin-4-yl-4-pyridinyl)-[3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 110151084
[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822299
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95822950
[(3S)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-(2-morpholin-4-yl-4-pyridinyl)methanone
CID 125016518
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 109168568
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822355

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone?
The IUPAC name of [4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone (CID 110150215) is [4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for [4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for [4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone is Cc1ccccc1Oc1nccnc1C1CCN(C(=O)c2ccnc(N3CCN(C)CC3)c2)CC1.
What is the InChIKey of [4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone?
The InChIKey is LRRYWSNQOJQZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-20-5-3-4-6-23(20)35-26-25(29-11-12-30-26)21-8-13-33(14-9-21)27(34)22-7-10-28-24(19-22)32-17-15-31(2)16-18-32/h3-7,10-12,19,21H,8-9,13-18H2,1-2H3.
What are the key properties of [4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone?
[4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone has a molecular weight of 472.59 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 110150215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).