tert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate

C18H20Cl2FN5O2 — CID 86699182

IUPACtert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1=N[C@](C)(c2cc(N)ccc2F)Cn2c1nc(Cl)c2Cl
InChIInChI=1S/C18H20Cl2FN5O2/c1-17(2,3)28-16(27)24-14-15-23-12(19)13(20)26(15)8-18(4,25-14)10-7-9(22)5-6-11(10)21/h5-7H,8,22H2,1-4H3,(H,24,25,27)/t18-/m0/s1
InChIKeyAGFHDCPHPJGWNM-SFHVURJKSA-N
MW428.30 g/mol
LogP4.11
Rot. Bonds1

About tert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate

tert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate (PubChem CID 86699182) has the molecular formula C18H20Cl2FN5O2 and a molecular weight of 428.30 g/mol. Its IUPAC name is tert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate
PubChem CID86699182
Molecular FormulaC18H20Cl2FN5O2
Molecular Weight428.30 g/mol
Exact Mass427.10
IUPAC Nametert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1=N[C@](C)(c2cc(N)ccc2F)Cn2c1nc(Cl)c2Cl
InChIInChI=1S/C18H20Cl2FN5O2/c1-17(2,3)28-16(27)24-14-15-23-12(19)13(20)26(15)8-18(4,25-14)10-7-9(22)5-6-11(10)21/h5-7H,8,22H2,1-4H3,(H,24,25,27)/t18-/m0/s1
InChIKeyAGFHDCPHPJGWNM-SFHVURJKSA-N
XLogP4.11
TPSA94.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.30
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze tert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[(6R)-2,3-dichloro-6-[5-[(5-chloropyridine-2-carbonyl)amino]-2-fluorophenyl]-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate
CID 86699184
tert-butyl 2-[3-[2-chloro-6-methyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]-5H-imidazo[1,2-a]pyrazin-6-yl]-4-fluorophenyl]acetate
CID 152940939
tert-butyl N-[(4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5H-1,3-oxazol-2-yl]carbamate
CID 125499635
tert-butyl N-[(5R)-5-(5-amino-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-yl]carbamate
CID 129388884
tert-butyl N-[(5S)-5-(5-amino-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-yl]carbamate
CID 129388885
tert-butyl 2-[4-fluoro-3-[3-iodo-6-methyl-8-[(2-methylpropan-2-yl)oxycarbonylamino]-5H-imidazo[1,2-a]pyrazin-6-yl]phenyl]acetate
CID 146816732
[6-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-3-formyl-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid
CID 88542048
[6-(5-amino-2-fluorophenyl)-3-cyano-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamic acid
CID 67981031
tert-butyl N-[(7R)-7-(5-amino-2-fluorophenyl)-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-yl]carbamate
CID 86715817
2-[3-(8-amino-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone
CID 159270180
tert-butyl N-[(5R)-5-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate
CID 66665357
[3-(8-amino-2-chloro-6-methyl-5H-imidazo[1,2-a]pyrazin-6-yl)-4-fluorophenyl]carbamic acid
CID 67984598

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate?
The IUPAC name of tert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate (CID 86699182) is tert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate?
The canonical SMILES for tert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate is CC(C)(C)OC(=O)NC1=N[C@](C)(c2cc(N)ccc2F)Cn2c1nc(Cl)c2Cl.
What is the InChIKey of tert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate?
The InChIKey is AGFHDCPHPJGWNM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20Cl2FN5O2/c1-17(2,3)28-16(27)24-14-15-23-12(19)13(20)26(15)8-18(4,25-14)10-7-9(22)5-6-11(10)21/h5-7H,8,22H2,1-4H3,(H,24,25,27)/t18-/m0/s1.
What are the key properties of tert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate?
tert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate has a molecular weight of 428.30 g/mol, XLogP of 4.11, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6R)-6-(5-amino-2-fluorophenyl)-2,3-dichloro-6-methyl-5H-imidazo[1,2-a]pyrazin-8-yl]carbamate is sourced from PubChem (CID 86699182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).