2-cyclopropyl-4-[8-(3-methylbutylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide

C21H25N5O — CID 67976034

IUPAC2-cyclopropyl-4-[8-(3-methylbutylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide
SMILESCC(C)CCNc1nccn2cc(-c3ccc(C(N)=O)c(C4CC4)c3)nc12
InChIInChI=1S/C21H25N5O/c1-13(2)7-8-23-20-21-25-18(12-26(21)10-9-24-20)15-5-6-16(19(22)27)17(11-15)14-3-4-14/h5-6,9-14H,3-4,7-8H2,1-2H3,(H2,22,27)(H,23,24)
InChIKeyDWSWAFYQBRDBRU-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.83
Rot. Bonds7

About 2-cyclopropyl-4-[8-(3-methylbutylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide

2-cyclopropyl-4-[8-(3-methylbutylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide (PubChem CID 67976034) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-cyclopropyl-4-[8-(3-methylbutylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name2-cyclopropyl-4-[8-(3-methylbutylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide
PubChem CID67976034
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name2-cyclopropyl-4-[8-(3-methylbutylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide
SMILESCC(C)CCNc1nccn2cc(-c3ccc(C(N)=O)c(C4CC4)c3)nc12
InChIInChI=1S/C21H25N5O/c1-13(2)7-8-23-20-21-25-18(12-26(21)10-9-24-20)15-5-6-16(19(22)27)17(11-15)14-3-4-14/h5-6,9-14H,3-4,7-8H2,1-2H3,(H2,22,27)(H,23,24)
InChIKeyDWSWAFYQBRDBRU-UHFFFAOYSA-N
XLogP3.83
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[8-(3-methylbutylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide?
The IUPAC name of 2-cyclopropyl-4-[8-(3-methylbutylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide (CID 67976034) is 2-cyclopropyl-4-[8-(3-methylbutylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide.
What is the SMILES notation for 2-cyclopropyl-4-[8-(3-methylbutylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide?
The canonical SMILES for 2-cyclopropyl-4-[8-(3-methylbutylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide is CC(C)CCNc1nccn2cc(-c3ccc(C(N)=O)c(C4CC4)c3)nc12.
What is the InChIKey of 2-cyclopropyl-4-[8-(3-methylbutylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide?
The InChIKey is DWSWAFYQBRDBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-13(2)7-8-23-20-21-25-18(12-26(21)10-9-24-20)15-5-6-16(19(22)27)17(11-15)14-3-4-14/h5-6,9-14H,3-4,7-8H2,1-2H3,(H2,22,27)(H,23,24).
What are the key properties of 2-cyclopropyl-4-[8-(3-methylbutylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide?
2-cyclopropyl-4-[8-(3-methylbutylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide has a molecular weight of 363.47 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[8-(3-methylbutylamino)imidazo[1,2-a]pyrazin-2-yl]benzamide is sourced from PubChem (CID 67976034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).