4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-propan-2-ylbenzamide

C20H25N5O — CID 118732114

IUPAC4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-propan-2-ylbenzamide
SMILESCC(C)CNc1nccn2c(-c3ccc(C(=O)NC(C)C)cc3)cnc12
InChIInChI=1S/C20H25N5O/c1-13(2)11-22-18-19-23-12-17(25(19)10-9-21-18)15-5-7-16(8-6-15)20(26)24-14(3)4/h5-10,12-14H,11H2,1-4H3,(H,21,22)(H,24,26)
InChIKeyRKBSUAGOGLJWFS-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.60
Rot. Bonds6

About 4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-propan-2-ylbenzamide

4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-propan-2-ylbenzamide (PubChem CID 118732114) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-propan-2-ylbenzamide
PubChem CID118732114
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-propan-2-ylbenzamide
SMILESCC(C)CNc1nccn2c(-c3ccc(C(=O)NC(C)C)cc3)cnc12
InChIInChI=1S/C20H25N5O/c1-13(2)11-22-18-19-23-12-17(25(19)10-9-21-18)15-5-7-16(8-6-15)20(26)24-14(3)4/h5-10,12-14H,11H2,1-4H3,(H,21,22)(H,24,26)
InChIKeyRKBSUAGOGLJWFS-UHFFFAOYSA-N
XLogP3.60
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-propan-2-ylbenzamide (CID 118732114) is 4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-propan-2-ylbenzamide is CC(C)CNc1nccn2c(-c3ccc(C(=O)NC(C)C)cc3)cnc12.
What is the InChIKey of 4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is RKBSUAGOGLJWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-13(2)11-22-18-19-23-12-17(25(19)10-9-21-18)15-5-7-16(8-6-15)20(26)24-14(3)4/h5-10,12-14H,11H2,1-4H3,(H,21,22)(H,24,26).
What are the key properties of 4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-propan-2-ylbenzamide?
4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(2-methylpropylamino)imidazo[1,2-a]pyrazin-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 118732114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).