6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(thiophen-2-ylmethylamino)phenyl]methanone

C18H18N4OS — CID 56914741

IUPAC6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(thiophen-2-ylmethylamino)phenyl]methanone
SMILESO=C(c1ccccc1NCc1cccs1)N1CCn2cncc2C1
InChIInChI=1S/C18H18N4OS/c23-18(21-7-8-22-13-19-10-14(22)12-21)16-5-1-2-6-17(16)20-11-15-4-3-9-24-15/h1-6,9-10,13,20H,7-8,11-12H2
InChIKeyMWIKVVQTYVGUAV-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.21
Rot. Bonds4

About 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(thiophen-2-ylmethylamino)phenyl]methanone

6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(thiophen-2-ylmethylamino)phenyl]methanone (PubChem CID 56914741) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(thiophen-2-ylmethylamino)phenyl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(thiophen-2-ylmethylamino)phenyl]methanone
PubChem CID56914741
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(thiophen-2-ylmethylamino)phenyl]methanone
SMILESO=C(c1ccccc1NCc1cccs1)N1CCn2cncc2C1
InChIInChI=1S/C18H18N4OS/c23-18(21-7-8-22-13-19-10-14(22)12-21)16-5-1-2-6-17(16)20-11-15-4-3-9-24-15/h1-6,9-10,13,20H,7-8,11-12H2
InChIKeyMWIKVVQTYVGUAV-UHFFFAOYSA-N
XLogP3.21
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone
CID 56884455
2-(thiophen-2-ylmethylamino)benzamide
CID 83291253
6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 91484720
methyl (2R,4S)-4-hydroxy-1-[2-(thiophen-2-ylmethylamino)benzoyl]piperidine-2-carboxylate
CID 50974022
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[2-(ethylamino)phenyl]methanone
CID 64575650
N-[2-(morpholine-4-carbonyl)phenyl]-2-thiophen-2-ylacetamide
CID 2988771
[2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone
CID 50953270
[2-(propylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 62165925
2-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 46084493
aziridin-1-yl-[2-(methylamino)phenyl]methanone
CID 165349679
2-[4-(pyridine-2-carbonyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 42691375
1-[6-(2-methylpropoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-2-thiophen-2-ylethanone
CID 133139829

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(thiophen-2-ylmethylamino)phenyl]methanone?
The IUPAC name of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(thiophen-2-ylmethylamino)phenyl]methanone (CID 56914741) is 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(thiophen-2-ylmethylamino)phenyl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(thiophen-2-ylmethylamino)phenyl]methanone?
The canonical SMILES for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(thiophen-2-ylmethylamino)phenyl]methanone is O=C(c1ccccc1NCc1cccs1)N1CCn2cncc2C1.
What is the InChIKey of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(thiophen-2-ylmethylamino)phenyl]methanone?
The InChIKey is MWIKVVQTYVGUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-18(21-7-8-22-13-19-10-14(22)12-21)16-5-1-2-6-17(16)20-11-15-4-3-9-24-15/h1-6,9-10,13,20H,7-8,11-12H2.
What are the key properties of 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(thiophen-2-ylmethylamino)phenyl]methanone?
6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(thiophen-2-ylmethylamino)phenyl]methanone has a molecular weight of 338.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[2-(thiophen-2-ylmethylamino)phenyl]methanone is sourced from PubChem (CID 56914741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).