1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone

C16H17N5OS — CID 97467491

IUPAC1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCn2cc(Cn3cccn3)nc2C1
InChIInChI=1S/C16H17N5OS/c22-16(9-14-3-1-8-23-14)20-7-6-19-10-13(18-15(19)12-20)11-21-5-2-4-17-21/h1-5,8,10H,6-7,9,11-12H2
InChIKeyCLFXRZLBCUQFEJ-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.77
Rot. Bonds4

About 1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone

1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone (PubChem CID 97467491) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
PubChem CID97467491
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCn2cc(Cn3cccn3)nc2C1
InChIInChI=1S/C16H17N5OS/c22-16(9-14-3-1-8-23-14)20-7-6-19-10-13(18-15(19)12-20)11-21-5-2-4-17-21/h1-5,8,10H,6-7,9,11-12H2
InChIKeyCLFXRZLBCUQFEJ-UHFFFAOYSA-N
XLogP1.77
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone (CID 97467491) is 1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCn2cc(Cn3cccn3)nc2C1.
What is the InChIKey of 1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone?
The InChIKey is CLFXRZLBCUQFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c22-16(9-14-3-1-8-23-14)20-7-6-19-10-13(18-15(19)12-20)11-21-5-2-4-17-21/h1-5,8,10H,6-7,9,11-12H2.
What are the key properties of 1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone?
1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone has a molecular weight of 327.41 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 97467491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).