7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C16H23N5O — CID 97384442

IUPAC7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESc1cnn(Cc2cnc3n2CCN(CC2CCOCC2)C3)c1
InChIInChI=1S/C16H23N5O/c1-4-18-20(5-1)12-15-10-17-16-13-19(6-7-21(15)16)11-14-2-8-22-9-3-14/h1,4-5,10,14H,2-3,6-9,11-13H2
InChIKeyVTMSFYBVPFEGLP-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.37
Rot. Bonds4

About 7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97384442) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97384442
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESc1cnn(Cc2cnc3n2CCN(CC2CCOCC2)C3)c1
InChIInChI=1S/C16H23N5O/c1-4-18-20(5-1)12-15-10-17-16-13-19(6-7-21(15)16)11-14-2-8-22-9-3-14/h1,4-5,10,14H,2-3,6-9,11-13H2
InChIKeyVTMSFYBVPFEGLP-UHFFFAOYSA-N
XLogP1.37
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97384442) is 7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is c1cnn(Cc2cnc3n2CCN(CC2CCOCC2)C3)c1.
What is the InChIKey of 7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is VTMSFYBVPFEGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-4-18-20(5-1)12-15-10-17-16-13-19(6-7-21(15)16)11-14-2-8-22-9-3-14/h1,4-5,10,14H,2-3,6-9,11-13H2.
What are the key properties of 7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 301.39 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-4-ylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97384442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).