[(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C15H19N5O2 — CID 97471180

IUPAC[(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCn2c(Cn3cccn3)cnc2C1
InChIInChI=1S/C15H19N5O2/c21-15(13-3-1-8-22-13)18-6-7-20-12(9-16-14(20)11-18)10-19-5-2-4-17-19/h2,4-5,9,13H,1,3,6-8,10-11H2/t13-/m0/s1
InChIKeyKWSHNSIICMNMME-ZDUSSCGKSA-N
MW301.35 g/mol
LogP0.65
Rot. Bonds3

About [(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

[(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 97471180) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID97471180
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESO=C([C@@H]1CCCO1)N1CCn2c(Cn3cccn3)cnc2C1
InChIInChI=1S/C15H19N5O2/c21-15(13-3-1-8-22-13)18-6-7-20-12(9-16-14(20)11-18)10-19-5-2-4-17-19/h2,4-5,9,13H,1,3,6-8,10-11H2/t13-/m0/s1
InChIKeyKWSHNSIICMNMME-ZDUSSCGKSA-N
XLogP0.65
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of [(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 97471180) is [(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is O=C([C@@H]1CCCO1)N1CCn2c(Cn3cccn3)cnc2C1.
What is the InChIKey of [(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is KWSHNSIICMNMME-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-15(13-3-1-8-22-13)18-6-7-20-12(9-16-14(20)11-18)10-19-5-2-4-17-19/h2,4-5,9,13H,1,3,6-8,10-11H2/t13-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
[(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 301.35 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 97471180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).