4-[5-(4-methoxypiperidin-1-yl)pyrazin-2-yl]-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene

C19H20N6O2 — CID 178156841

IUPAC4-[5-(4-methoxypiperidin-1-yl)pyrazin-2-yl]-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene
SMILESCOC1CCN(c2cnc(-n3cc4c(n3)-c3cccnc3OC4)cn2)CC1
InChIInChI=1S/C19H20N6O2/c1-26-14-4-7-24(8-5-14)16-9-22-17(10-21-16)25-11-13-12-27-19-15(18(13)23-25)3-2-6-20-19/h2-3,6,9-11,14H,4-5,7-8,12H2,1H3
InChIKeyLGHCPDFOZXCTNY-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.23
Rot. Bonds3

About 4-[5-(4-methoxypiperidin-1-yl)pyrazin-2-yl]-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene

4-[5-(4-methoxypiperidin-1-yl)pyrazin-2-yl]-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene (PubChem CID 178156841) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[5-(4-methoxypiperidin-1-yl)pyrazin-2-yl]-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene.

Molecular Properties

Compound Name4-[5-(4-methoxypiperidin-1-yl)pyrazin-2-yl]-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene
PubChem CID178156841
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name4-[5-(4-methoxypiperidin-1-yl)pyrazin-2-yl]-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene
SMILESCOC1CCN(c2cnc(-n3cc4c(n3)-c3cccnc3OC4)cn2)CC1
InChIInChI=1S/C19H20N6O2/c1-26-14-4-7-24(8-5-14)16-9-22-17(10-21-16)25-11-13-12-27-19-15(18(13)23-25)3-2-6-20-19/h2-3,6,9-11,14H,4-5,7-8,12H2,1H3
InChIKeyLGHCPDFOZXCTNY-UHFFFAOYSA-N
XLogP2.23
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-(4-methoxypiperidin-1-yl)pyrazin-2-yl]-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene with MolForge

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Related Compounds

CID 178156942
CID 178156942
CID 178157154
CID 178157154
4-(5-bromo-3-fluoro-2-pyridinyl)-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene
CID 178156944
(7Z)-2-[6-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-3-pyridinyl]-7-ethylidene-N-methyl-4H-pyrano[4,3-c]pyrazol-6-imine;ethane;1-[5-(8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaen-4-yl)-2-pyridinyl]piperidin-4-ol
CID 178157210
3-bromo-2-(4-methoxypiperidin-1-yl)pyridine
CID 61375060
5-chloro-2-(4-methoxypiperidin-1-yl)pyridine
CID 66233187
4-(4-methoxypiperidin-1-yl)pyrimidine
CID 140584286
2-methyl-5-(4-pyrimidin-2-yloxypiperidin-1-yl)pyrazine
CID 123758655
4-fluoro-2-(4-methoxypiperidin-1-yl)pyridine
CID 70661184
2-[(3S)-3-methoxypyrrolidin-1-yl]-3-methylpyridine
CID 143449306
N-[[2-(4-methoxypiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62279070
[4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine
CID 121204980

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxypiperidin-1-yl)pyrazin-2-yl]-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene?
The IUPAC name of 4-[5-(4-methoxypiperidin-1-yl)pyrazin-2-yl]-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene (CID 178156841) is 4-[5-(4-methoxypiperidin-1-yl)pyrazin-2-yl]-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene.
What is the SMILES notation for 4-[5-(4-methoxypiperidin-1-yl)pyrazin-2-yl]-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene?
The canonical SMILES for 4-[5-(4-methoxypiperidin-1-yl)pyrazin-2-yl]-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene is COC1CCN(c2cnc(-n3cc4c(n3)-c3cccnc3OC4)cn2)CC1.
What is the InChIKey of 4-[5-(4-methoxypiperidin-1-yl)pyrazin-2-yl]-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene?
The InChIKey is LGHCPDFOZXCTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-26-14-4-7-24(8-5-14)16-9-22-17(10-21-16)25-11-13-12-27-19-15(18(13)23-25)3-2-6-20-19/h2-3,6,9-11,14H,4-5,7-8,12H2,1H3.
What are the key properties of 4-[5-(4-methoxypiperidin-1-yl)pyrazin-2-yl]-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene?
4-[5-(4-methoxypiperidin-1-yl)pyrazin-2-yl]-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene has a molecular weight of 364.41 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxypiperidin-1-yl)pyrazin-2-yl]-8-oxa-3,4,10-triazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene is sourced from PubChem (CID 178156841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).