4-[6-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide

C20H22BrN5O — CID 50914592

IUPAC4-[6-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
SMILESCC(C)CNc1nc(Br)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C20H22BrN5O/c1-12(2)9-22-18-19-23-10-16(26(19)11-17(21)25-18)13-3-5-14(6-4-13)20(27)24-15-7-8-15/h3-6,10-12,15H,7-9H2,1-2H3,(H,22,25)(H,24,27)
InChIKeyLHLXOJOMKSLWCN-UHFFFAOYSA-N
MW428.33 g/mol
LogP4.12
Rot. Bonds6

About 4-[6-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide

4-[6-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (PubChem CID 50914592) has the molecular formula C20H22BrN5O and a molecular weight of 428.33 g/mol. Its IUPAC name is 4-[6-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[6-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
PubChem CID50914592
Molecular FormulaC20H22BrN5O
Molecular Weight428.33 g/mol
Exact Mass427.10
IUPAC Name4-[6-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
SMILESCC(C)CNc1nc(Br)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C20H22BrN5O/c1-12(2)9-22-18-19-23-10-16(26(19)11-17(21)25-18)13-3-5-14(6-4-13)20(27)24-15-7-8-15/h3-6,10-12,15H,7-9H2,1-2H3,(H,22,25)(H,24,27)
InChIKeyLHLXOJOMKSLWCN-UHFFFAOYSA-N
XLogP4.12
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.33
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[6-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (CID 50914592) is 4-[6-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[6-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[6-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is CC(C)CNc1nc(Br)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of 4-[6-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The InChIKey is LHLXOJOMKSLWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN5O/c1-12(2)9-22-18-19-23-10-16(26(19)11-17(21)25-18)13-3-5-14(6-4-13)20(27)24-15-7-8-15/h3-6,10-12,15H,7-9H2,1-2H3,(H,22,25)(H,24,27).
What are the key properties of 4-[6-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
4-[6-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide has a molecular weight of 428.33 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 50914592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).