[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone

C27H27N5O2 — CID 132767401

IUPAC[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESCc1ccccc1Oc1cncc(C2CCCN(C(=O)c3ccccc3Cn3cccn3)C2)n1
InChIInChI=1S/C27H27N5O2/c1-20-8-2-5-12-25(20)34-26-17-28-16-24(30-26)22-10-6-14-31(18-22)27(33)23-11-4-3-9-21(23)19-32-15-7-13-29-32/h2-5,7-9,11-13,15-17,22H,6,10,14,18-19H2,1H3
InChIKeyDSPNLBCJHMUGDD-UHFFFAOYSA-N
MW453.55 g/mol
LogP4.84
Rot. Bonds6

About [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone

[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone (PubChem CID 132767401) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
PubChem CID132767401
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESCc1ccccc1Oc1cncc(C2CCCN(C(=O)c3ccccc3Cn3cccn3)C2)n1
InChIInChI=1S/C27H27N5O2/c1-20-8-2-5-12-25(20)34-26-17-28-16-24(30-26)22-10-6-14-31(18-22)27(33)23-11-4-3-9-21(23)19-32-15-7-13-29-32/h2-5,7-9,11-13,15-17,22H,6,10,14,18-19H2,1H3
InChIKeyDSPNLBCJHMUGDD-UHFFFAOYSA-N
XLogP4.84
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-[4-methyl-6-(2-methylphenoxy)pyrimidin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 125003141
[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 125024145
2-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822521
2-methoxy-1-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822520
[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 95822780
[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 110256498
3-methoxy-1-[(3S)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124940932
[(3R)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone
CID 124985921
3-[6-[(3S)-1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 124953056
3-[6-[1-[2-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]-2-pyridinyl]benzamide
CID 110151582
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293
(4-benzyloxan-4-yl)-[(3R)-3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 124950943

Frequently Asked Questions

What is the IUPAC name of [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone (CID 132767401) is [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone is Cc1ccccc1Oc1cncc(C2CCCN(C(=O)c3ccccc3Cn3cccn3)C2)n1.
What is the InChIKey of [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is DSPNLBCJHMUGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O2/c1-20-8-2-5-12-25(20)34-26-17-28-16-24(30-26)22-10-6-14-31(18-22)27(33)23-11-4-3-9-21(23)19-32-15-7-13-29-32/h2-5,7-9,11-13,15-17,22H,6,10,14,18-19H2,1H3.
What are the key properties of [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone?
[3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 453.55 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[2-(pyrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 132767401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).