N-cyclopropyl-4-[8-(2-methylpropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide

C26H27N5O — CID 50914875

IUPACN-cyclopropyl-4-[8-(2-methylpropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(C)CNc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C26H27N5O/c1-17(2)14-27-24-25-28-15-23(31(25)16-22(30-24)18-6-4-3-5-7-18)19-8-10-20(11-9-19)26(32)29-21-12-13-21/h3-11,15-17,21H,12-14H2,1-2H3,(H,27,30)(H,29,32)
InChIKeyQGCHHJBTBVGDDZ-UHFFFAOYSA-N
MW425.54 g/mol
LogP5.02
Rot. Bonds7

About N-cyclopropyl-4-[8-(2-methylpropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide

N-cyclopropyl-4-[8-(2-methylpropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (PubChem CID 50914875) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is N-cyclopropyl-4-[8-(2-methylpropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[8-(2-methylpropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
PubChem CID50914875
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC NameN-cyclopropyl-4-[8-(2-methylpropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide
SMILESCC(C)CNc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12
InChIInChI=1S/C26H27N5O/c1-17(2)14-27-24-25-28-15-23(31(25)16-22(30-24)18-6-4-3-5-7-18)19-8-10-20(11-9-19)26(32)29-21-12-13-21/h3-11,15-17,21H,12-14H2,1-2H3,(H,27,30)(H,29,32)
InChIKeyQGCHHJBTBVGDDZ-UHFFFAOYSA-N
XLogP5.02
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[8-(2-methylpropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[8-(2-methylpropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide (CID 50914875) is N-cyclopropyl-4-[8-(2-methylpropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[8-(2-methylpropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[8-(2-methylpropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is CC(C)CNc1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12.
What is the InChIKey of N-cyclopropyl-4-[8-(2-methylpropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
The InChIKey is QGCHHJBTBVGDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-17(2)14-27-24-25-28-15-23(31(25)16-22(30-24)18-6-4-3-5-7-18)19-8-10-20(11-9-19)26(32)29-21-12-13-21/h3-11,15-17,21H,12-14H2,1-2H3,(H,27,30)(H,29,32).
What are the key properties of N-cyclopropyl-4-[8-(2-methylpropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide?
N-cyclopropyl-4-[8-(2-methylpropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide has a molecular weight of 425.54 g/mol, XLogP of 5.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[8-(2-methylpropylamino)-6-phenylimidazo[1,2-a]pyrazin-3-yl]benzamide is sourced from PubChem (CID 50914875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).