N-[1-(5-bromo-2-methoxyphenyl)cyclopropyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide

C18H17BrN4O2 — CID 138007790

IUPACN-[1-(5-bromo-2-methoxyphenyl)cyclopropyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide
SMILESCOc1ccc(Br)cc1C1(NC(=O)c2nccn3cc(C)nc23)CC1
InChIInChI=1S/C18H17BrN4O2/c1-11-10-23-8-7-20-15(16(23)21-11)17(24)22-18(5-6-18)13-9-12(19)3-4-14(13)25-2/h3-4,7-10H,5-6H2,1-2H3,(H,22,24)
InChIKeyAZVHNXXXKUSOBO-UHFFFAOYSA-N
MW401.26 g/mol
LogP3.23
Rot. Bonds4

About N-[1-(5-bromo-2-methoxyphenyl)cyclopropyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide

N-[1-(5-bromo-2-methoxyphenyl)cyclopropyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide (PubChem CID 138007790) has the molecular formula C18H17BrN4O2 and a molecular weight of 401.26 g/mol. Its IUPAC name is N-[1-(5-bromo-2-methoxyphenyl)cyclopropyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound NameN-[1-(5-bromo-2-methoxyphenyl)cyclopropyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide
PubChem CID138007790
Molecular FormulaC18H17BrN4O2
Molecular Weight401.26 g/mol
Exact Mass400.05
IUPAC NameN-[1-(5-bromo-2-methoxyphenyl)cyclopropyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide
SMILESCOc1ccc(Br)cc1C1(NC(=O)c2nccn3cc(C)nc23)CC1
InChIInChI=1S/C18H17BrN4O2/c1-11-10-23-8-7-20-15(16(23)21-11)17(24)22-18(5-6-18)13-9-12(19)3-4-14(13)25-2/h3-4,7-10H,5-6H2,1-2H3,(H,22,24)
InChIKeyAZVHNXXXKUSOBO-UHFFFAOYSA-N
XLogP3.23
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromo-2-methoxyphenyl)cyclopropyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of N-[1-(5-bromo-2-methoxyphenyl)cyclopropyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide (CID 138007790) is N-[1-(5-bromo-2-methoxyphenyl)cyclopropyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for N-[1-(5-bromo-2-methoxyphenyl)cyclopropyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for N-[1-(5-bromo-2-methoxyphenyl)cyclopropyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide is COc1ccc(Br)cc1C1(NC(=O)c2nccn3cc(C)nc23)CC1.
What is the InChIKey of N-[1-(5-bromo-2-methoxyphenyl)cyclopropyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide?
The InChIKey is AZVHNXXXKUSOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2/c1-11-10-23-8-7-20-15(16(23)21-11)17(24)22-18(5-6-18)13-9-12(19)3-4-14(13)25-2/h3-4,7-10H,5-6H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(5-bromo-2-methoxyphenyl)cyclopropyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide?
N-[1-(5-bromo-2-methoxyphenyl)cyclopropyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 401.26 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromo-2-methoxyphenyl)cyclopropyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 138007790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).