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

C23H21N5O — CID 57379119

IUPAC4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCc4ccccc4)nccn23)cc1
InChIInChI=1S/C23H21N5O/c29-23(27-19-10-11-19)18-8-6-17(7-9-18)20-15-26-22-21(24-12-13-28(20)22)25-14-16-4-2-1-3-5-16/h1-9,12-13,15,19H,10-11,14H2,(H,24,25)(H,27,29)
InChIKeyAISQWISHTMSJFQ-UHFFFAOYSA-N
MW383.46 g/mol
LogP3.90
Rot. Bonds6

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

4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (PubChem CID 57379119) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
PubChem CID57379119
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC Name4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc3c(NCc4ccccc4)nccn23)cc1
InChIInChI=1S/C23H21N5O/c29-23(27-19-10-11-19)18-8-6-17(7-9-18)20-15-26-22-21(24-12-13-28(20)22)25-14-16-4-2-1-3-5-16/h1-9,12-13,15,19H,10-11,14H2,(H,24,25)(H,27,29)
InChIKeyAISQWISHTMSJFQ-UHFFFAOYSA-N
XLogP3.90
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide (CID 57379119) is 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(-c2cnc3c(NCc4ccccc4)nccn23)cc1.
What is the InChIKey of 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
The InChIKey is AISQWISHTMSJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c29-23(27-19-10-11-19)18-8-6-17(7-9-18)20-15-26-22-21(24-12-13-28(20)22)25-14-16-4-2-1-3-5-16/h1-9,12-13,15,19H,10-11,14H2,(H,24,25)(H,27,29).
What are the key properties of 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide?
4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide has a molecular weight of 383.46 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(benzylamino)imidazo[1,2-a]pyrazin-3-yl]-N-cyclopropylbenzamide is sourced from PubChem (CID 57379119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).