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

C24H21N5O3 — CID 57379357

IUPAC4-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCc4ccc5c(c4)OCO5)nccn23)cc1
InChIInChI=1S/C24H21N5O3/c30-24(28-18-6-7-18)17-4-2-16(3-5-17)19-13-27-23-22(25-9-10-29(19)23)26-12-15-1-8-20-21(11-15)32-14-31-20/h1-5,8-11,13,18H,6-7,12,14H2,(H,25,26)(H,28,30)
InChIKeyJMUAYZCWUVZZOC-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.63
Rot. Bonds6

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

4-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (PubChem CID 57379357) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 4-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
PubChem CID57379357
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name4-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCc4ccc5c(c4)OCO5)nccn23)cc1
InChIInChI=1S/C24H21N5O3/c30-24(28-18-6-7-18)17-4-2-16(3-5-17)19-13-27-23-22(25-9-10-29(19)23)26-12-15-1-8-20-21(11-15)32-14-31-20/h1-5,8-11,13,18H,6-7,12,14H2,(H,25,26)(H,28,30)
InChIKeyJMUAYZCWUVZZOC-UHFFFAOYSA-N
XLogP3.63
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (CID 57379357) is 4-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCc4ccc5c(c4)OCO5)nccn23)cc1.
What is the InChIKey of 4-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The InChIKey is JMUAYZCWUVZZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c30-24(28-18-6-7-18)17-4-2-16(3-5-17)19-13-27-23-22(25-9-10-29(19)23)26-12-15-1-8-20-21(11-15)32-14-31-20/h1-5,8-11,13,18H,6-7,12,14H2,(H,25,26)(H,28,30).
What are the key properties of 4-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
4-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide has a molecular weight of 427.46 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(1,3-benzodioxol-5-ylmethylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 57379357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).