4-[5-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide

C20H22BrN5O — CID 57381656

IUPAC4-[5-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
SMILESCC(C)CNc1ncc(Br)n2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C20H22BrN5O/c1-12(2)9-22-18-19-24-10-16(26(19)17(21)11-23-18)13-3-5-14(6-4-13)20(27)25-15-7-8-15/h3-6,10-12,15H,7-9H2,1-2H3,(H,22,23)(H,25,27)
InChIKeyNBAXGQMDAKCKIW-UHFFFAOYSA-N
MW428.33 g/mol
LogP4.12
Rot. Bonds6

About 4-[5-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide

4-[5-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (PubChem CID 57381656) has the molecular formula C20H22BrN5O and a molecular weight of 428.33 g/mol. Its IUPAC name is 4-[5-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[5-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
PubChem CID57381656
Molecular FormulaC20H22BrN5O
Molecular Weight428.33 g/mol
Exact Mass427.10
IUPAC Name4-[5-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
SMILESCC(C)CNc1ncc(Br)n2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C20H22BrN5O/c1-12(2)9-22-18-19-24-10-16(26(19)17(21)11-23-18)13-3-5-14(6-4-13)20(27)25-15-7-8-15/h3-6,10-12,15H,7-9H2,1-2H3,(H,22,23)(H,25,27)
InChIKeyNBAXGQMDAKCKIW-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

Analyze 4-[5-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide 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 4-[5-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[5-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (CID 57381656) is 4-[5-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[5-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[5-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is CC(C)CNc1ncc(Br)n2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of 4-[5-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The InChIKey is NBAXGQMDAKCKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN5O/c1-12(2)9-22-18-19-24-10-16(26(19)17(21)11-23-18)13-3-5-14(6-4-13)20(27)25-15-7-8-15/h3-6,10-12,15H,7-9H2,1-2H3,(H,22,23)(H,25,27).
What are the key properties of 4-[5-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
4-[5-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-[5-bromo-8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 57381656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).