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

C24H22Cl3FN6O3 — CID 86699184

About 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

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 (PubChem CID 86699184) has the molecular formula C24H22Cl3FN6O3 and a molecular weight of 567.84 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 86699184
• Molecular Formula: C24H22Cl3FN6O3
• Molecular Weight: 567.84 g/mol
• Exact Mass: 566.08
• IUPAC Name: 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
• SMILES: CC(C)(C)OC(=O)NC1=N[C@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)Cn2c1nc(Cl)c2Cl
• InChI: InChI=1S/C24H22Cl3FN6O3/c1-23(2,3)37-22(36)32-19-20-31-17(26)18(27)34(20)11-24(4,33-19)14-9-13(6-7-15(14)28)30-21(35)16-8-5-12(25)10-29-16/h5-10H,11H2,1-4H3,(H,30,35)(H,32,33,36)/t24-/m0/s1
• InChIKey: ZNGZICZZGGDGJH-DEOSSOPVSA-N
• XLogP: 5.83
• TPSA: 110.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.84
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)OC(=O)NC1=N[C@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)Cn2c1nc(Cl)c2Cl.

What is the InChIKey of 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?

The InChIKey is ZNGZICZZGGDGJH-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H22Cl3FN6O3/c1-23(2,3)37-22(36)32-19-20-31-17(26)18(27)34(20)11-24(4,33-19)14-9-13(6-7-15(14)28)30-21(35)16-8-5-12(25)10-29-16/h5-10H,11H2,1-4H3,(H,30,35)(H,32,33,36)/t24-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 567.84 g/mol, XLogP of 5.83, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 86699184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).