N'-[1-[7-(4-fluorocyclohexa-1,5-diene-1-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethylsulfanyl]ethanimidamide

C18H24FN5OS — CID 163713998

IUPACN'-[1-[7-(4-fluorocyclohexa-1,5-diene-1-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethylsulfanyl]ethanimidamide
SMILESCC(N)=NSC(C)c1cnc2n1CCN(C(=O)C1=CCC(F)C=C1)C2C
InChIInChI=1S/C18H24FN5OS/c1-11-17-21-10-16(12(2)26-22-13(3)20)24(17)9-8-23(11)18(25)14-4-6-15(19)7-5-14/h4-6,10-12,15H,7-9H2,1-3H3,(H2,20,22)
InChIKeyKLSOQLLNUZDASO-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.10
Rot. Bonds4

About N'-[1-[7-(4-fluorocyclohexa-1,5-diene-1-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethylsulfanyl]ethanimidamide

N'-[1-[7-(4-fluorocyclohexa-1,5-diene-1-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethylsulfanyl]ethanimidamide (PubChem CID 163713998) has the molecular formula C18H24FN5OS and a molecular weight of 377.49 g/mol. Its IUPAC name is N'-[1-[7-(4-fluorocyclohexa-1,5-diene-1-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethylsulfanyl]ethanimidamide.

Molecular Properties

Compound NameN'-[1-[7-(4-fluorocyclohexa-1,5-diene-1-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethylsulfanyl]ethanimidamide
PubChem CID163713998
Molecular FormulaC18H24FN5OS
Molecular Weight377.49 g/mol
Exact Mass377.17
IUPAC NameN'-[1-[7-(4-fluorocyclohexa-1,5-diene-1-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethylsulfanyl]ethanimidamide
SMILESCC(N)=NSC(C)c1cnc2n1CCN(C(=O)C1=CCC(F)C=C1)C2C
InChIInChI=1S/C18H24FN5OS/c1-11-17-21-10-16(12(2)26-22-13(3)20)24(17)9-8-23(11)18(25)14-4-6-15(19)7-5-14/h4-6,10-12,15H,7-9H2,1-3H3,(H2,20,22)
InChIKeyKLSOQLLNUZDASO-UHFFFAOYSA-N
XLogP3.10
TPSA76.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[1-[7-(4-fluorocyclohexa-1,5-diene-1-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethylsulfanyl]ethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[1-[7-(4-fluorocyclohexa-1,5-diene-1-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethylsulfanyl]ethanimidamide?
The IUPAC name of N'-[1-[7-(4-fluorocyclohexa-1,5-diene-1-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethylsulfanyl]ethanimidamide (CID 163713998) is N'-[1-[7-(4-fluorocyclohexa-1,5-diene-1-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethylsulfanyl]ethanimidamide.
What is the SMILES notation for N'-[1-[7-(4-fluorocyclohexa-1,5-diene-1-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethylsulfanyl]ethanimidamide?
The canonical SMILES for N'-[1-[7-(4-fluorocyclohexa-1,5-diene-1-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethylsulfanyl]ethanimidamide is CC(N)=NSC(C)c1cnc2n1CCN(C(=O)C1=CCC(F)C=C1)C2C.
What is the InChIKey of N'-[1-[7-(4-fluorocyclohexa-1,5-diene-1-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethylsulfanyl]ethanimidamide?
The InChIKey is KLSOQLLNUZDASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5OS/c1-11-17-21-10-16(12(2)26-22-13(3)20)24(17)9-8-23(11)18(25)14-4-6-15(19)7-5-14/h4-6,10-12,15H,7-9H2,1-3H3,(H2,20,22).
What are the key properties of N'-[1-[7-(4-fluorocyclohexa-1,5-diene-1-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethylsulfanyl]ethanimidamide?
N'-[1-[7-(4-fluorocyclohexa-1,5-diene-1-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethylsulfanyl]ethanimidamide has a molecular weight of 377.49 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[7-(4-fluorocyclohexa-1,5-diene-1-carbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]ethylsulfanyl]ethanimidamide is sourced from PubChem (CID 163713998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).